Aspirin
- Formula: C9H8O4
- Molecular weight: 180.1574
- 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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Phase change data
Go To: Top, 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 405. ± 10. | K | AVG | N/A | Average of 103 out of 110 values; Individual data points |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.972 | 409.2 | DSC | Xu, Sun, et al., 2004 | AC |
7.412 | 412.7 | DSC | Perlovich and Bauer-Brandl, 2001 | See also Perlovich and Bauer-Brandl, 2003.; AC |
7.12 | 414. | N/A | Kirklin, 2000 | AC |
Gas Chromatography
Go To: Top, Phase change data, 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, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Xu, Sun, et al., 2004
Xu, F.; Sun, L.-X.; Tan, Z.-C.; Liang, J.-G.; Zhou, D.-H.; Di, Y.-Y.; Lan, X.Z.; Zhang, T.,
Wuji Huaxue Xuebao, 2004, 20, 1, 50. [all data]
Perlovich and Bauer-Brandl, 2001
Perlovich, G.L.; Bauer-Brandl, A.,
Organometallics, 2001, 63, 3, 653-661, https://doi.org/10.1023/A:1010119532614
. [all data]
Perlovich and Bauer-Brandl, 2003
Perlovich, German L.; Bauer-Brandl, Annette,
Pharmaceutical Research, 2003, 20, 3, 471-478, https://doi.org/10.1023/A:1022624725495
. [all data]
Kirklin, 2000
Kirklin, Duane R.,
Enthalpy of combustion of acetylsalicylic acid,
The Journal of Chemical Thermodynamics, 2000, 32, 6, 701-709, https://doi.org/10.1006/jcht.1999.0650
. [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, Phase change data, Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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