CAS Registry Number

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A CAS Registry Number,[1] also referred to as CASRN or CAS Number, is a unique numerical identifier assigned by Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature (currently including those described from at least 1957 through the present), including organic and inorganic compounds, minerals, isotopes, alloys and nonstructurable materials (UVCBs, of unknown, variable composition, or biological origin).[2]

The Registry maintained by CAS is an authoritative collection of disclosed chemical substance information. Currently the CAS Registry identifies more than 81 million organic and inorganic substances and 64 million protein and DNA sequences,[3] plus additional information about each substance. The Registry is updated with an approximate 15,000 additional new substances daily.[4]

Use[edit]

Historically, chemicals have been identified by a wide variety of synonyms. Frequently these are arcane and constructed according to regional naming conventions relating to chemical formulae, structures or origins. Well-known chemicals may additionally be known via multiple generic, historical, commercial, and/or black-market names.

CAS Registry Numbers are simple and regular, convenient for database searches. They offer a reliable, common and international link to every specific substance across the various nomenclatures and disciplines used by branches of science, industry, and regulatory bodies. Almost all molecule databases today allow searching by CAS Registry Number.

On the other hand, CASRNs are not related to chemistry, are proprietary and unrelated to any previous systems, and do not readily form phonetic analogs or synonyms.

Format[edit]

A CAS Registry Number has no inherent meaning but is assigned in sequential, increasing order when the substance is identified by CAS scientists for inclusion in the CAS REGISTRY database.

A CASRN is separated by hyphens into three parts, the first consisting from two up to seven digits,[5] the second consisting of two digits, and the third consisting of a single digit serving as a check digit. The check digit is found by taking the last digit times 1, the previous digit times 2, the previous digit times 3 etc., adding all these up and computing the sum modulo 10. For example, the CAS number of water is 7732-18-5: the checksum 5 is calculated as (8×1 + 1×2 + 2×3 + 3×4 + 7×5 + 7×6) = 105; 105 mod 10 = 5.

Granularity[edit]

  • Stereoisomers and racemic mixtures are assigned discrete CAS Registry Numbers: L-epinephrine has 51-43-4, D-epinephrine has 150-05-0, and racemic DL-epinephrine has 329-65-7
  • Different phases do not receive different CASRNs (liquid water and ice both have 7732-18-5), but different crystal structures do (carbon in general is 7440-44-0, graphite is 7782-42-5 and diamond is 7782-40-3)
  • Commonly encountered mixtures of known or unknown composition may receive a CASRN; examples are Leishman stain (12627-53-1) and mustard oil (8007-40-7).
  • Occasionally whole classes of molecules receive a single CASRN: the class of enzymes known as alcohol dehydrogenases has 9031-72-5.

Ownership[edit]

The assigning agency, Chemical Abstracts Service (CAS) is a division of the American Chemical Society (ACS); CAS information is copyrighted by the ACS. Users wishing to incorporate CAS Registry Numbers into databases should refer to CAS policy:

A User or Organization may include, without a license and without paying a fee, up to 10,000 CAS Registry Numbers or CASRNs in a catalog, web site, or other product for which there is no charge. The following attribution should be referenced or appear with the use of each CASRN: CAS Registry Number is a Registered Trademark of the American Chemical Society.[6]

CAS Registry Number search engine[edit]

See also[edit]

Notes[edit]

  1. ^ CAS registry description, by Chemical Abstracts Service
  2. ^ American Chemical Society. "CAS Registry and CASRNs". Retrieved 25 July 2009. 
  3. ^ CAS database counter (updated daily).
  4. ^ Chemical Substances - CAS REGISTRY
  5. ^ 2014-06-18, https://www.cas.org/content/chemical-substances/faqs
  6. ^ American Chemical Society (CAS) (2009-06-18). "CAS Information Use Policies (effective July 2, 2009)". Retrieved 2010-02-10. 
  7. ^ Canadian Centre for Occupational Health and Safety. "CHEMINDEX Search". Retrieved 13 July 2009. 
  8. ^ United States National Library of Medicine. "Advanced". Retrieved 1 December 2009. 
  9. ^ American Chemical Society. "Substance Search". Retrieved 8 July 2009. 
  10. ^ National Industrial Chemicals Notification and Assessment Scheme. "AICS Detailed Help / Guidance Notes". Retrieved 8 July 2009. 
  11. ^ European Commission Joint research Centre. "ESIS : European chemical Substances Information System". Retrieved 11 July 2009. 
  12. ^ Library & Information Centre. "Finding a CAS Registry Number". Retrieved 11 July 2009. 
  13. ^ Environmental Risk Management Authority. "HSNO Chemical Classification Information Database". Retrieved 14 July 2009. 
  14. ^ National Industrial Chemicals Notification and Assessment Scheme. "AICS Search Tool". Retrieved 11 July 2009. 

External links[edit]

To find the CAS number of a compound given its name, formula or structure, the following free resources can be used: