Chemical abstract - its uses in chemistry especially in science, history, weekly issues - index - author, name of chemical, year, patent, collective index - chemical abstract service

1. II M.SC., CHEMISTRY -2 YEAR
THIRD SEMESTER
19CHEE307-1: SCIENTIFIC RESEARCH
METHODOLOGY
UNIT-III: CHEMICAL ABSTRACTS
Dr. R. VALLIAPPAN
PROFESSOR
DEPARTMENT OF CHEMISTRY
ANNAMALAI UNIVERSITY
ANNAMALAI NAGAR 608 002
Cell: 98420 87465
Email; rmvs1962@yahoo.com

2. Unit-III: Chemical Abstracts
• Current awareness searching: CA weekly issues, CA issue indexes
– Restrosynthetic searching: CA volume indexes – general subject
index, chemical substance index, formula index, index of ring
systems, author index, patent index –
• CA collective indexes: Collective index (CI), decennial index(DI) –
Access point for searching CA indexes: index guide, general subject
terms, chemical substance names, molecular formulas, ring
systems, author names, patent numbers –
• Locating the reference : finding the abstract, finding the original
document chemical abstract service source index.

3. Purpose
• The purpose of Chemical Abstracts (CA) is to help
scientists benefit from the published work of their
colleagues around the world by monitoring, abstracting
and indexing the world's chemistry-related literature.
• Strength of Chemical Abstracts Services (CAS) aims
to world all chemistry to index -relevant publications
summarize for the Chemical Abstracts are 10,000
magazines, books 50 languages, dissertations,
conference proceedings, and patents from 27 national
organizations and Two international organizations.

5. CHEMICAL ABSTRACTS
Chemical Abstracts is the premier abstracting service
for the field of chemistry and related areas. This is a huge
database with over 700,000 documents added each year. CA
abstracts are summaries of scientific discoveries reported in
the published literature. They are intended to help you decide
whether the original document is of interest. If it is, you can use
the bibliographic heading material as the route to retrieve the
document.
Chemical Abstracts covers around 8,000 journals.
CAS CHEMISTS CREATE ABSTRACTS FROM
journal articles (74)
chemical and chemical engineering patents (16)
conference proceedings (5)
technical reports
dissertations
books

6. Chemical Abstracts Service (CAS), a division of the
American Chemical Society, is considered the world's leading
source of chemical information. (http://www.cas.org)
Chemical Abstracts Services? (CAS)
• Its is an index of the scientific literature in chemistry and related
fields, abstract for almost all the articles.
• Available in print , microform, and CD- ROM
• For online access scifinder scholar and other databases of CAS

7. Abstracts
There were 26 weekly issues per semiannual "volume."
Each Abstract issue was divided into 80 Subject Sections. An
abstract appeared in just one section, based on the novelty of the
process or substance being reported in the literature.
Weekly issues
Each weekly issue also contained indexes by author,
subject keyword (not official headings), and patent number. The
issue indexes were superseded first by a volume index published
every six months, and then by the 5-year Collective Index. (The
library did not retain the issue and volume indexes.)

8. GENERAL CHEMICAL INFORMATION - Chemical Abstracts
Service (CAS)
All documents cited in the CAS database cover some aspect
of chemistry. Biomolecules and synthetic analogs General organic
chemistry Benzene and its derivatives Organometallic compounds
Biochemical methods
Aliphatic compounds
Heterocyclic compounds
Electrochemistry
History
Chemical Abstracts Service was founded in 1907 as a division of
the American Chemical Society (ACS) in columbus USA.
The first volume contained 15,000 abstracts and was distributed
free of charge to ACS members. Today: about 5,000,000 abstracts per
year; annual subscription—over $15,000.
In 1980 CA became Chemical Abstracts Service (CAS) and an
operating division of the American Chemical Society.
1995 CAS introduced Scifinder for direct access.
In 2010 Science Technology Network (STN) introduce for depth
of chemical reaction and largest collection information introduced STN.

9. EACH ABSTRACT CONTAINS
complete bibliographic references patent references
(details of what was patented by whom and the country in which
the patent was issued) commonly used chemical substance names
or molecular formulas chemical structure images (when available)
Many researchers unfamiliar with the content of the CAS
databases assume that CA is strictly "chemistry," and are
astonished by the diversity of its coverage.
Agricultural Sciences
Biology and Life Sciences
Engineering Sciences
Food Sciences
General Chemistry
Geological Sciences
Material Sciences
Medical Sciences
Physics
Polymer Science

10. Contents of the Abstract Record
All CA records contain:
Title of the document
Author(s) or inventor(s) for patents
Corporate source or patent assignee information
Source Information, e.g. journal title, volume, issue, pages or patent numbers
Language
Abstracts (usually)
Contents of the Abstract Record
Author’s name appear as given in the original document
Abstracts for journal articles are usually those written by the author
Patent abstracts may be fleshed out by the indexer
Dissertations and some other documents have no abstracts
Abbreviations
Journal names are listed using CASSI abbreviations
Corporate names are heavily abbreviated
All abstracts use abbreviations for common chemical terms (see handout)

11. Importance of Chemical Abstracts
Comprehensiveness
Chemistry as the “central science” high overlap with medicine, biology,
physics, materials, agriculture, geology, etc Constant enhancements
CAS has been in forefront of computerization of indexing for over 30
years. Chemical Abstracts in Print: Publication Schedule
An issue each week, but subject coverage alternates, so it is
effectively updated every two weeks.
Each volume covers six months; cumulative indexes arrive about two
months after the volume ends. Collective Indexes cover a ten-volume period.
Chemical Abstracts in Print: Arrangement of Abstracts. For ease of
browsing, abstracts are grouped by subject area. Currently there are 80 subject
sections, divided into five broad groups.
Biochemistry and Organic Chemistry used to come out in odd-numbered
weeks. Macromolecular Chemistry, Applied Chemistry and Chemical Engineering
and Physical, Inorganic and Analytical Chem. used to come in even-numbered
weeks.
Cross-references are used where a given abstract might legitimately appear
in more than one section.
Note that subject sections change with time to reflect current research.

12. FORMAT AND COVERAGE
What CAS Does
CAS attempts to comprehensively index the chemical literature, including:
some 8–12,000 journals; 1,300 of which are now indexed cover to
cover—covering documents of chemical importance patents from 28 nations and
two international organizations technical reports, conference papers, books and
dissertations. Other CAS Services Chemical Industry Notes (CIN)—indexes the
literature of chemical business (e.g. C&E News, Chemical Week)
Print Chemical Abstracts : 1907- to date
Electronic SciFinder Scholar. 1907- to date
SCIFINDER SCHOLAR
SciFinder Scholar is a desktop research tool designed especially for
use by students and faculty to easily access the information in the Chemical
Abstracts databases. Search by author name, research topic, substance
identifier, chemical structure, or chemical reaction. (Sub-Structure searching
ability is not available at U.C.)
You can search the entire CA file electronically with SciFinder from 1907
to the present.
There are 15 computers in the Chemistry/Biology Library with the
SciFinder software loaded on it. It is available during normal Library hours. The
system is very easy to use and requires no training.

13. Retrospective searching
Chemical Abstracts Service Source Index (CASSI)
Lists all periodicals ever indexed by CAS Lists many pre-1907 sources,
such as those appearing in Beilstein Available in print or on CD-ROM
Periodicals are listed in alphabetical order by their abbreviations—the name
appears in full, with the abbreviated portion in boldface.
Listing include language information, starting dates and current volume
numbers, cross-references to changed titles or translations and holdings
information.
CAS Document Detective Service provides copies of documents
indexed by CA or CIN, generally for the past 20 years.
Exceptions: indirectly indexed documents, like tech reports or
dissertations. If copyright is a problem, they will lend the original.
CAS Registry Service
Started to track chemical substances for CAS internal files; now the
standard method for uniquely identifying chemicals. All substanced indexed by
CAS get RN’s, plus substances submitted by outside firms or agencies Registry
Numbers are of the form: xxxxxx-xx-x

14. Substance Categories
For ketones, aldehydes: acetals, hydrazones, mercaptals, oximes
For acids: anhydrides, anhydrosulfides, esters, lactones
For alcohols : ethers
For amines: oxides
General: compounds, derivatives, polymers
Heading Qualifiers
For substances and classes of substances
analysis
biological studies
occurrence
preparations
properties
reactions
uses and miscellaneous
For Organs and Tissues
composition
disease or disorder
metabolism
neoplasm
toxic chemical or physical damage
For alloys
base
non-base

15. Collective Indexes
Every five years CAS published a Collective Index (CI). The 14th
CI was published in 2002 and covers the years 1997-2001. The
library has all Collective Indexes up to this point. They are divided
into:
Author Index, 1907-2001
Subject Index 1907-71 (included chemical substance names
through 1971)
Chemical Substance Index, 1972-2001 (includes all CA Index
Names used during the specific index period)
General Subject Index, 1972-2001 (includes all subject and
compound-class terms that are not systematic CA Index Names)
Formula Index, 1920-2001
Patent Index, 1907-2001

16. Index Guides
The Index Guide (IG) for each Collective Index period
provides cross-references from commonly used chemical names to
official CA Index Names (with registry numbers) used in the
corresponding Chemical Substance Index.
It also serves as a thesaurus of all controlled-vocabulary
subject headings used in the General Subject Index. The Index Guide
should always be consulted before looking up a chemical name or
subject term in the Collective Indexes.

17. Ring Systems Handbook
The RSH leads you from a ring or cage structure to the
CA Index Name and Registry Number of a ring parent
compound, for searching in the Chemical Substance Index.
Entries are in ring analysis order and are indexed by molecular
formula and Index Name.
Registry Handbook
The Registry Handbook - Number Section was a
cumulative numerical listing of Registry Numbers assigned to
chemical substances from 1965 to 1996. If you have only a
registry number and need the CA Index Name for that
compound, look it up here first and then use the name to
consult the Chemical Substance Indexes. A corresponding
Names Section issued on microfiche provided registry numbers
for several hundred thousand of the most-indexed common
names.

18. Volume and collective Indexes: General Subject Index
The General Subject Index uses standard subject headings in order to better
bring related documents together (collation).
The standard headings list does get modified and expanded to reflect new areas of
research. Major changes are usually done at the beginning of a Collective Index
period.
General Subject Index
This index includes:
•classes of chemical substances
•physical and chemical phenomena
•types of reactions
•chemical technology
•industrial processes and equipment
•scientific names for living organisms
•biological and medical terminology
For extensive subjects, qualifiers are added as part of the main subject
heading, such as
•Blood, analysis
•Sulfonic acids, uses and miscellaneous
Classes of substances may also have derivative categories, such as:
•Carboxylic acids, esters
Note: the following lists of categories apply to pre-1997 indexes. Some are
undergoing dramatic changes.

19. Concept Indexing in Chemical Abstracts
Weekly issues use key work indexing assigned by the indexer.
Terms are not systematically selected.
Volume and Collective Indexes use systematic indexing for both
general concepts and chemical substances.
Keyword Indexing
Keywords are assigned by the indexer based on the body of the
document, not just the title of the abstract.
Terms are often abbreviated, following the standard CA abbreviations
To save space, a keyword is not assigned if it’s part of the section
heading for the section the abstract appears in, e.g. “Steroids”.
Additional keywords are listed beneath the main keyword heading
to flesh out the concept (like the co-terms in Science Citation Index)
Chemical names are listed along with concept terms in the issue
indexes. The chemical names are not systematic, but follow the author’s
nomenclature.

20. Keyword Example
“Facile preparations of 4-fluororesorcinol”
-Acetophenone
Methoxy fluorination regiochem
-Benzene
Fluoro dihydroxy
-Deacetylation
Demethylation fluorodimethoxyacetophenone
-Demethylation
Fluorodimethoxybenzene
-Methoxybenzene
methoxyacetophenone fluorination regiochem
Fluorodihydroxybenzene
Fluororesorcinol
Resorcinol
fluoro

21. Indexing in Print CA
The types of indexing available in CA reflect the constraints of print.
The indexing available in the weekly issues is that which can be done most quickly.
The indexing in the Volume and Collective Indexes is more systematic, but still
reflects the limitations of print.
Indexing in Print CA
Issue Indexes
Author
Keyword
Patent
Volume & Collective Indexes
Author
Chemical Substance
General Subject
Molecular Formula
Patent
Author Indexing: Weekly Issues

22. All authors are listed by last name and initials only. The index gives only
the abstract number. Examples:
Lipshutz B H 151869t
Little R D 152780u
Patents have entries for both inventor and assignee; their abstract numbers
have P before the number.
Examples:
Genentech, Inc. P146735s
Leong S R P 146735s
Other types of corporate authors, such as societies and government agencies,
also get author entries:
Unites States Food and Drug Administration 150996v 150997w

23. Author Indexing: Volume and Collective Indexes
First authors get both the abstract number and title of the paper
listed under their names
The author name is not necessarily the form used in the article, but
may be a standardized form of the name
Other authors are cross-referenced to the first author of the document
Examples:
Ford, Peter Campbell
Quantitative mechanistic studies of the photoreactions of…148765a
Lange, Frederick Fouse
See Miller, Kelly T.; Sudre, Olivier
--; Lam, D.C.C.; Sudre, O.
Powder processing and densification of ceramics 144196x
Even though CA tries to pull all of an author’s works under one name, it
cannot always distinguish authors with the same initials, so it alphabetizes by
last name and initials, even where the full name is spelled out!

24. Alphabetization of Author Names
Examples:
Ellis, A.
Ellis, Arthur Baron
Ellis, A. D.
Ellis, Anthony Ewart
Ellis, Avery K.
Ellis, Andrew Michael
Ellis, Albert T.
Spelling of Author Names
Be aware of special rules for handling certain names. Names with “Mc” or
umlauted letters or tranliteration from non-Roman alphabets can be tricky.
Example: Mossbauer is listed as Moessbauer

25. Patent Indexing
Chemical Abstracts only indexes patents with “new” chemical information and it
only indexes the first version of each patent it receives.
However, the patent index (arranged by country code and patent number) gives
cross-references from later, equivalent patents.
When searching for an equivalent patent, start at the year of issue of the known
patent reference and work forward until you find the equivalent or run out of
indexes.
CA Index Guide
The Index Guide is the key printed tool for identifying the correct subject
heading for any topic in Chem. Abs.
Each IG lists the approved headings in use for its period of coverage.
An IG is published at the beginning of each Collective Index period, with
updates every 18 months until the final comes with the Collective Index itself

26. Contexts of the Index Guide
An alphabetical listing of the approved subject headings, with cross-
references to related headings and descriptive notes.
Many common terms not used as headings are listed, with see references to
the correct heading.
Many common and / or trade names for chemical substances are listed,
giving the correct CA systematic name (and Registry #!)
There are also appendixes on the organization and use of the subject
indexes; how CA indexers select headings; CA chemical nomenclature; and a
hierarchical list of the headings.
Whenever you are doing a subject search, in print or online, it’s a good idea
to check the Index Guide!!
Note: at this point, the first 1997 Index Guide has not appeared, since the first
1997 Volume Indexes have not. See: http://www.cas.org/terms/vocab.html for an
interesting compilation of changes.

27. Chemical substance names
What constitutes a parent compound and how it would be named
are not always obvious, even to a chemist.
Examples
Toluene is
Bezene, methyl-
ortho-Xylene is
Benzene, 1,2-dimethyl-
Benzyl alcohol is
Benzenemethanol
Teflon is
Ethene, tetrafuoro-, homopolymer
Substituents
When there are multiple substituents, they are listed in
alphabetical order, including the prefixes.
Carbon tetrachloride is
Methane, tetrachloro-
CCl2F2 is
Methane, dichlorodifluoro-
CCl3F is
Methane, fluorotrichloro-

28. The Rule of Specificity
In general, CA indexers will assign the most specific subject heading that
applies to the document.
For example, if a dicument deals with the synthesis of a specific ester, the
indexer will assign that substance to the index, not the general term “esters”.
Cancer of the lungs will appear as Lung, neoplasm not Lung, disease (pre-
1997). 1997 and later, the general term in Lung Tumors, with more specific types, e.g.
Lung adrenocarcinomas.
Substance Indexing: The Challenge of Nomenclature
In order to ensure that each substance has a unique possible name, and to
group “like” compounds together, CA has devised their own system of nomenclature
(not necessarily IUPAC) and scheme for arranging them in the Chemical Substance
Index.
Unfortunately, this system can be hideously complex.

29. Nomenclature: A Hideous Example
Dodecahedrane (C20H20) is listed as:
5,2,1,6,3,4-(2,3)Butanylidenedipentaleno (2,1,6-cde:2',1',6'-gha)
pentalene, hexadecahydro
Changing Nomenclature
It is important to remember that the CAS nomenclature has changed
over time, if you are using the older literature.
The most important change took place in 1972; nomenclature has been
fairly stable since then.
Basic Rules of CAS Nomenclature
CAS indexers select the “main” part of the compound to act as the
heading parent.
Substituents to the parent are listed after it is inverted order

30. Alphabetization of Compounds
Compounds are listed first by parent compound, with the parent
compound itself first (with and qualifiers and categories), then by
substituted forms in alphabetical order.
Substituents are read from left to right, ignoring numbers and punctuation.
Example: Benzene
Benzene
Benzene, analysis
Benzene, uses and miscellaneous
Benzene, compounds
Benzene, polymers
Benzene, azido-
Benzene, chloro-
Benzene, 1,2-dibutyl
Special Cases: Salts : Salts of organic acids, or inorganic oxyacids
are named as derivatives of the parent acid.
Potassium Chloride is - -Potassium chloride
Potassium Sulfate is - -Sulfuric acid, potassium salt (2:1)
Helps for finding CAS Chemical Names
In general, it can be very tricky to look at the structure of a complex
compound and decide what the CA name will be.
However, in many cases, you can use a variety of resources to help
find the CA name.

31. Registry Number Handbook
CAS publishes a “handbook” which lists Registry Numbers and gives the
CAS systematic name for the substance.
Remember that there are many sources you can use to find Registry
Numbers which have good synonym indexes: Merck, HODOC, Aldrich, Kirk-Othmer.
Shelved just after Chem Abs. itself.
Molecular Formula Index
While most molecular formulas have a large number of possible compounds,
it is far easier to look at a possible name and decide whether it matches your
compound than to guess at a name.
Note that the Molecular Formula Index just gives a list of abstract numbers,
not a breakdown by subheadings.
Molecular Formula Index Organization - Molecular formulas are listed in Hill
order.
If carbon is present, it comes first, followed by hydrogen, then all other
elements in alphabetical order.
If not, then all (including H) in alphabetical order.
Note that the rules for salts apply to molecular formulas, too.

32. Doing a manual search in printed Chemical Abstracts is a tedious, mutli-step
process. This is how it was done.
Select an appropriate Index volume based on the type of search you want to do
(author, substance, or subject) and the time period desired.
Author: Entries are arranged by last name, then by first and second initials (not by
first name). Qualifying text is the title of the document. Coauthors are cross-
referenced to first author.
Formula: Entries contain only abstract numbers unless there is a large number of
them, and no qualifying text. It's best to use the Formula Index to get the
corresponding CA Index Name, then look up that name in the corresponding
Chemical Substance or Subject (1907-71) index, where the entries are more
detailed. Formulas are listed in Hill order: C, then H, then other elements in
alphabetical order.
Chemical Substance name: Start with the Index Guide to see if there's an entry
for the name you have. If not, use the Formula Index or Ring Systems Handbook
to get the name. In the CSI you must use only the specific CA Index Name for
that CI period. There are no cross references to earlier or generic names. Names
are arranged by "parent" (the structural skeleton) followed by substituents and
modifications. Qualifying text in each entry indicates what the document is
primarily about, followed by an abstract number. About 600 of the most frequently
indexed compounds are called "Qualified Substances." Their document entries
are grouped into seven categories: Analysis, Biological studies, Occurrence,
Preparation, Properties, Reactions, Uses and miscellaneous.

33. Subject term: Check the Index Guide first to find an appropriate
term to look up in the Subject Index (1907-71) or General Subject
Index (1972- ). Classes of compounds (e.g. Carcinogens), undefined
compounds and mixtures (e.g. Gasoline), processes, plant/animal
species, and other general topical terms are found in this index, along
with cross references and scope notes.
Patent number: Arranged by issuing country/organization, then
by patent number. CA abstracts only the first member of a patent
family, and links later equivalent patents to this parent patent.
Equivalents are cross-referenced to the parent. Prior to 1981 the
equivalents were listed in the Patent Concordance.
Note Abstract Numbers from the entries of interest. Abstract numbers
prefixed "R" indicate a review; "P" indicates a patent.
Go to the corresponding Abstracts volume and look up the abstract by
its number.
Repeat this process for earlier or later index periods. Remember that
Index Names and subject headings changed over time, so consult the
Index Guide for each CI period.
A booklet called "How To Search Printed CA" is available in the library
with the CA indexes.

34. Dates Example Notes
1967-
present
74:23628c
Represents a single specific
abstract; searchable in SciFinder.
The final control character
appears only in the print abstracts
and should be ignored.
1947-66 45:1541e
Volume:Column number/column
fraction letter a-h. Abstract
numbers prior to 1967 do not
necessarily represent a specific
abstract, but rather the position in
a column or page where that
abstract begins.
1934-46 28:37145 Volume:Column number/column
fraction digit 1-9
1907-33 6:571 Volume:page only.
The format of the CA Abstract Number changed over time. Only
1967-forward abstract numbers are searchable as "document identifiers"
in SciFinder. "CAN" numbers displayed in SciFinder for pre-1967 records
do not correspond to the printed CA abstract number.

35. Molecular Formula Examples
Benzene is C6H6
Teflon is (C2F4)x
Ferrocene is C10H10Fe
Hydrochloric acid is C1H
Benzoic acid is C7H6O2
Sodium benzoate is C7H6O2, sodium salt…NOT C7H5NaO2
Ring System Handbook
Most compounds with a polycyclic ring system use the name of the ring system
as the parent compound.
The Handbook lists ring systems in order of:
Increasing number of rings
Increasing number of atoms in the ring
Increasing Hill order formula of the ring
Gives structure diagram, name, Reg. #
When print tools fail you…
Even with all of the above, sometimes none of the tools will help you find the correct
name.
And if you don’t find something, does it mean that you haven’t guessed the right name,
or that it hasn’t been reported??
Enter the power of computer searching — structure searching can give a definitive
answer to most questions.

36. CHEMLIST
Includes CAS Regulatory Information Database.
(CHEMLIST)
This is a database of regulated chemical substances
from a number of national and international chemical inventories
and regulatory lists. Essential for monitoring illegal substances
and for keeping track of environmental issues relating to
chemicals.

38. CAS Registry Number
Each CAS Registry Number (RN) is a unique numeric identifier that
contain up to 9 digits, divided by hyphens into 3 parts. Each RN
designates only one substance. It has no chemical significance and is a
link to a wealth of information about a specific chemical substance. There
are over 32,000,000 RNs. Searching by RN is very effective.
CAS Registry Numbers are systematic terms for substances and
overcome all sorts of problems associated with nomenclature (e.g.
different names for the same substance substances which have very
complex names only etc.). They are extremely important search terms for
substances!
CASSI
CASSI (Chemical Abstracts Service Source Index) is the
comprehensive and retrospective list of publications that have been
indexed by Chemical Abstracts since it began in 1907. It includes
journals, books, conferences, and other series, arranged by CA
abbreviation. This is the source you use to translate journal title
abbreviations into full titles for searching in the library catalog and
other finding aids. The last print edition of CASSI (1907-2004) is kept
in the Librarian's office. It is also available in a somewhat limited form on the
web:

39. Model questions
1. Define Chemical Abstracts and its purpose
2. What is meant by an index? Write the various indexes used in search of a
matter.
3. What are collective indexes. Explain in detail
4. Define index guide, general subject terms and chemical substance names
5. How will you identify a chemical by an author index
6. With the help of molecular formula how will you identify a compound?
7. What are ring systems? Give example.
8. How will you locating the reference in Chemical abstracts?
9. Write briefly chemical abstract service source index
10.How will you identify the access points for searching CA indexes?
11.What is meant by Patent index?
12.Why Chemical abstract is important in science subjects. Explain in detail.