Benzoic acid
- Formula: C7H6O2
- Molecular weight: 122.1213
- IUPAC Standard InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
- CAS Registry Number: 65-85-0
- 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: Benzenecarboxylic acid; Benzeneformic acid; Benzenemethanoic acid; Benzoesaeure GK; Benzoesaeure GV; Carboxybenzene; Dracylic acid; Phenylcarboxylic acid; Phenylformic acid; Retarder BA; Retardex; Salvo, liquid; Solvo, powder; Tenn-Plas; Acide benzoique; Benzoic acid, tech.; Kyselina benzoova; Benzoesaeure; Salvo powder; E 210; HA 1; HA 1 (acid); Phenylcarboxy; Benzenemethonic acid; Diacylic acid; Flowers of benjamin; Flowers of benzoin; Oracylic acid; Retarder BAX; NSC 149
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Normal alkane RI, polar column, custom temperature program
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Stabilwax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 55 0C (2 min) 5 0C/min -> 180 0C (5 min) 8 0C/min -> 230 0C (10 min) | 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min) | 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min) | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C |
I | 2432. | 2455. | 2389. | 2404. | 2428. |
Reference | Kaprasob, Laohankunjit, et al., 2011 | Chinnici, Guerrero, et al., 2009 | de Simon, Estruelas, et al., 2009 | Tao, Wenlai, et al., 2008 | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | Hydrogen | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min) | not specified | not specified |
I | 2399. | 2435. | 2432. | 2380. | 2426. |
Reference | Gonzalez-Rios, Suarez-Quiroz, et al., 2007 | Tian, Zhang, et al., 2007 | Krings, Zelena, et al., 2006 | Editorial paper, 2005 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. |
Carrier gas | ||
Substrate | ||
Column diameter (mm) | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Program | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
I | 2417. | 2419. |
Reference | Mayorga, Knapp, et al., 2001 | Mayorga, Knapp, et al., 2001 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kaprasob, Laohankunjit, et al., 2011
Kaprasob, R.; Laohankunjit, N.; Kerdchoechuen, O.,
Volatile compounds and bionutrient of sesame meal protein hydrolysate by flavourzyme,
Agricultural Sci; J., 2011, 42, 2, 421-424. [all data]
Chinnici, Guerrero, et al., 2009
Chinnici, F.; Guerrero, E.D.; Sonni, F.; Natali, N.; Marin, R.N.; Riponi, C.,
Gas chromatography - mass spectrometry (GC-MS) characterization of volatile compounds in quality vinegars with protected Europian geographical indication,
J. Agric. Food Chem., 2009, 57, 11, 4784-4792, https://doi.org/10.1021/jf804005w
. [all data]
de Simon, Estruelas, et al., 2009
de Simon, B.F.; Estruelas, E.; Munoz, A.M.; Cadahia, E.; Sanz, M.,
Volatile compounds in acacia, chestnut, cherry, ash, and oak woods, with a view to their use in cooperage,
J. Agric. Food Chem., 2009, 57, 8, 3217-3227, https://doi.org/10.1021/jf803463h
. [all data]
Tao, Wenlai, et al., 2008
Tao, L.; Wenlai, F.; Yan, X.,
Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
J. Inst. Brew., 2008, 114, 2, 172-179, https://doi.org/10.1002/j.2050-0416.2008.tb00323.x
. [all data]
Gonzalez-Rios, Suarez-Quiroz, et al., 2007
Gonzalez-Rios, O.; Suarez-Quiroz, M.L.; Boulanger, R.; Barel, M.; Guyot, B.; Guiraud, J.-P.; Schorr-Galindo, S.,
Impact of ecological post-harvest processing of coffee aroma: II Roasted coffee.,
J. Food Composition Analysis, 2007, 20, 3-4, 297-307, https://doi.org/10.1016/j.jfca.2006.12.004
. [all data]
Tian, Zhang, et al., 2007
Tian, Y.; Zhang, X.; Huang, T.; Zou, K.; Zhou, J.,
Research advances on the essential oils from leaves of Eucalyptus,
Food Fermentation Ind. (Chinese), 2007, 33, 10, 143-147. [all data]
Krings, Zelena, et al., 2006
Krings, U.; Zelena, K.; Wu, S.; Berger, R.G.,
Thin-layer high-vacuum distillation to isolate volatile flavour compounds of cocoa powder,
Eur. Food Res. Technol., 2006, 223, 5, 675-681, https://doi.org/10.1007/s00217-006-0252-x
. [all data]
Editorial paper, 2005
Editorial paper,
Solid Phase Microextraction (SPME) Application Guide,
The Reporter Europe (Supelco), 2005, 16, 5, 12-12. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C.,
Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.),
J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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