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
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Reaction thermochemistry data
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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
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By formula: C9H8O4 + H2O = C2H4O2 + C7H6O3
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -6.50 ± 0.07 | kcal/mol | Cm | Nelander, 1964 | solid phase; Heat of hydrolysis |
IR Spectrum
Go To: Top, Reaction thermochemistry data, THz IR spectrum, 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
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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
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Additional Data
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| 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 |
Gas Chromatography
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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, Reaction thermochemistry data, IR Spectrum, THz IR spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Nelander, 1964
Nelander, L.,
The heats of hydrolysis of aspirin, thioaspirin, and their p-analogues,
Acta Chem. Scand., 1964, 18, 973-984. [all data]
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, Reaction thermochemistry data, IR Spectrum, THz IR spectrum, Gas Chromatography, References
- Symbols used in this document:
ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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