Aspirin
- Formula: C9H8O4
- Molecular weight: 180.1574
- IUPAC Standard InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
- IUPAC Standard InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
- CAS Registry Number: 50-78-2
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Benzoic acid, 2-(acetyloxy)-; Salicylic acid acetate; o-Acetoxybenzoic acid; o-Carboxyphenyl acetate; A.S.A.; A.S.A. Empirin; Acenterine; Acesal; Acetal; Aceticyl; Acetilum Acidulatum; Acetisal; Acetol; Acetophen; Acetosal; Acetosalic acid; Acetosalin; Acetylin; Acetylsal; Acetylsalicylic acid; Acidum acetylsalicylicum; Acisal; Acylpyrin; Asagran; Aspro; Asteric; AC 5230; ASA; Benaspir; Bialpirina; Colfarit; Dolean PH 8; Duramax; Ecotrin; Empirin; Endydol; Enterophen; Enterosarein; Enterosarine; Globentyl; Globoid; Helicon; Idragin; Measurin; Neuronika; Novid; Polopiryna; Rheumintabletten; Rhodine; Rhonal; Salacetin; Salcetogen; Saletin; SP 189; Temperal; Triple-Sal; Xaxa; Yasta; 2-(Acetyloxy)benzoic acid; 2-Acetoxybenzoic acid; 2-Carboxyphenyl acetate; O-acetylsalicylic acid; Acetonyl; Acetylsalicylsaure; Acide acetylsalicylique; Adiro; Aspec; Aspergum; Aspirdrops; Aspirine; Bi-prin; Cemirit; Claradin; Clariprin; Crystar; Decaten; Ecolen; Entericin; Extren; ECM; Levius; Micristin; Pharmacin; Pirseal; Premaspin; S-211; Solfrin; Solprin acid; Spira-Dine; St. Joseph; Acetilsalicilico; Acido acetilsalicilico; Acimetten; Acido O-acetil-benzoico; Asatard; Aspalon; Bialpirinia; Caprin; Contrheuma retard; Delgesic; Entrophen; Kyselina 2-acetoxybenzoova; Kyselina acetylsalicylova; Solpyron; Bayer; Bufferin; Easprin; St. Joseph Aspirin for Adults; 2-Acetylsalicyclic acid; Ascoden-30; Coricidin; Nu-seals; Nu-seals aspirin; Persistin; Supac; Tasprin; Triaminicin; Salicylic acid, acetyl-; o-(Acetyloxy)benzoic acid; Zorprin; Magnecyl; Miniasal; Colsprin; Acesan; Acetard; Ascolong; Aspropharm; Salycylacetylsalicylic acid; Kapsazal
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
IR Spectrum
Go To: Top, THz IR spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
- Not specified, most likely a prism, grating, or hybrid spectrometer.; (NO SPECTRUM, ONLY SCANNED IMAGE IS AVAILABLE)
- SOLID (KBr DISC) VS KBr; PERKIN-ELMER 21 (GRATING); DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY; 2 cm-1 resolution
THz IR spectrum
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Edwin J. Heilweil and Matthew B. Campbell
Condensed Phase Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
View spectrum image in SVG format.
Download spectrum in JCAMP-DX format.
| Owner | Collection (C) 2005 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| State | Solid (powder) |
| Sample description | 5.0 mg + 113.6 mg polyethylene spectrograde powder |
| Sample contents | acetyl salicylic acid |
Mass spectrum (electron ionization)
Go To: Top, IR Spectrum, THz IR spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Virginia Division of Forensic Science |
| NIST MS number | 250572 |
Gas Chromatography
Go To: Top, IR Spectrum, THz IR spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 130. | 1270. | Japp, Gill, et al., 1987 | 30. m/0.53 mm/1.5 μm, N2 |
| Packed | OV-1 | 150. | 1315. | Berninger and Möller, 1977 |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 1309. | Schutz and Wollrab A., 1988 | Program: not specified |
| Other | Methyl Silicone | 1309. | Ardrey and Moffat, 1981 | Program: not specified |
References
Go To: Top, IR Spectrum, THz IR spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Japp, Gill, et al., 1987
Japp, M.; Gill, R.; Osselton, M.D.,
Comparison of drug retention indices determined on packed, wide bore capillary and narrow bore capillary columns,
J. Forensic Sci., 1987, 32, 6, 1574-1586. [all data]
Berninger and Möller, 1977
Berninger, H.; Möller, M.R.,
Retentionsindices zur gaschromatographischen Identifizierung von Arzneimitteln,
Arch. Toxicol., 1977, 37, 4, 295-305, https://doi.org/10.1007/BF00330821
. [all data]
Schutz and Wollrab A., 1988
Schutz, H.; Wollrab A.,
The significance of the retention index in toxicologic analysis II,
Pharmazie in unzerer Zeit, 1988, 17, 4, 97-101. [all data]
Ardrey and Moffat, 1981
Ardrey, R.E.; Moffat, A.C.,
Gas-liquid chromatographic retention indices of 1318 substances of toxicological interest on SE-30 or OV-1 stationary phase,
J. Chromatogr., 1981, 220, 3, 195-252, https://doi.org/10.1016/S0021-9673(00)81925-1
. [all data]
Notes
Go To: Top, IR Spectrum, THz IR spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.