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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Van Den Dool and Kratz RI, polar column, temperature ramp
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 | DB-Wax | Supelcowax-10 | Stabilwax | Carbowax 20M |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 1. | 0.25 |
Tstart (C) | 40. | 50. | 35. | 40. | 45. |
Tend (C) | 250. | 220. | 195. | 230. | 250. |
Heat rate (K/min) | 4. | 4. | 6. | 4. | 2. |
Initial hold (min) | 5. | 4. | 5. | 2. | 0.17 |
Final hold (min) | 15. | 20. | 60. | 10. | |
I | 2433. | 2412. | 2387. | 2446. | 2380. |
Reference | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Osorio, Alarcon, et al., 2006 | Chung, Fung, et al., 2005 | Fang and Qian, 2005 | Verzera, Campisi, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 1. | 0.25 |
Tstart (C) | 50. | 45. | 40. | 40. | 60. |
Tend (C) | 230. | 250. | 210. | 210. | 220. |
Heat rate (K/min) | 3. | 2. | 3. | 3. | 2. |
Initial hold (min) | 0.17 | 3. | |||
Final hold (min) | 30. | ||||
I | 2444. | 2380. | 2420. | 2423. | 2405. |
Reference | Moreira, Trugo, et al., 2002 | Verzera, Campisi, et al., 2001 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Chassagne, Boulanger, et al., 1999 |
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 | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 20. | 20. | 50. |
Tend (C) | 210. | 210. | 200. | 200. | 220. |
Heat rate (K/min) | 3. | 3. | 4. | 4. | 4. |
Initial hold (min) | 5. | 5. | 3. | ||
Final hold (min) | 10. | 10. | 20. | ||
I | 2420. | 2423. | 2420. | 2436. | 2387. |
Reference | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Ott, Fay, et al., 1997 | Ott, Fay, et al., 1997 | Humpf and Schreier, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 58CB | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.259 | 0.259 | 0.259 |
Phase thickness (μm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 40. | 50. | 50. | 50. |
Tend (C) | 240. | 220. | 240. | 240. | 240. |
Heat rate (K/min) | 4. | 3. | 4. | 4. | 4. |
Initial hold (min) | 3. | 3. | 3. | 3. | |
Final hold (min) | |||||
I | 2420. | 2400. | 2391. | 2408. | 2392. |
Reference | Krammer, Winterhalter, et al., 1991 | Pabst, Barron, et al., 1991 | Suárez, Duque, et al., 1991 | Suárez, Duque, et al., 1991 | Suárez, Duque, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 30. |
Carrier gas | He | He |
Substrate | ||
Column diameter (mm) | 0.259 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 |
Tstart (C) | 50. | 40. |
Tend (C) | 240. | 240. |
Heat rate (K/min) | 4. | 4. |
Initial hold (min) | 3. | 3. |
Final hold (min) | ||
I | 2408. | 2401. |
Reference | Suárez, Duque, et al., 1991 | Schwab, Mahr, et al., 1989 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
. [all data]
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
. [all data]
Chung, Fung, et al., 2005
Chung, H.Y.; Fung, P.K.; Kim, J.-S.,
Aroma impact components in commercial plain sufu,
J. Agric. Food Chem., 2005, 53, 5, 1684-1691, https://doi.org/10.1021/jf048617d
. [all data]
Fang and Qian, 2005
Fang, Y.; Qian, M.,
Aroma compounds in Oregon Pinot Noir wine determined by aroma extract dilution analysis (AEDA),
Flavour Fragr. J., 2005, 20, 1, 22-29, https://doi.org/10.1002/ffj.1551
. [all data]
Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M.,
SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]
Moreira, Trugo, et al., 2002
Moreira, R.F.A.; Trugo, L.C.; Pietroluongo, M.; de Maria, C.A.B.,
Flavor composition of cashew (Anacardium occidentale) and marmeleiro (Croton species) honeys,
J. Agric. Food Chem., 2002, 50, 26, 7616-7621, https://doi.org/10.1021/jf020464b
. [all data]
Verzera, Campisi, et al., 2001
Verzera, A.; Campisi, S.; Zappalá, M.; Bonaccorsi, I.,
SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin,
Am. Lab. Fairfield Conn., 2001, 33, 15, 18-21. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
. [all data]
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [all data]
Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A.,
Determination and origin of the aroma impact compounds of yogurt flavor,
J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e
. [all data]
Humpf and Schreier, 1991
Humpf, H.-U.; Schreier, P.,
Bound aroma compounds from the fruit and the leaves of blackberry (Rubus laciniata L.),
J. Agric. Food Chem., 1991, 39, 10, 1830-1832, https://doi.org/10.1021/jf00010a028
. [all data]
Krammer, Winterhalter, et al., 1991
Krammer, G.; Winterhalter, P.; Schwab, M.; Schreier, P.,
Glycosidically bound aroma compounds in the fruits of Prunus species: Apricot (P. armeniaca, L.) peach (P. persica, L.) yellow plum (P. domestica, L. ssp. Syriaca),
J. Agric. Food Chem., 1991, 39, 4, 778-781, https://doi.org/10.1021/jf00004a032
. [all data]
Pabst, Barron, et al., 1991
Pabst, A.; Barron, D.; Etiévant, P.; Schreier, P.,
Studies on the enzymatic hydrolysis of bound aroma constituents from raspberry fruit pulp,
J. Agric. Food Chem., 1991, 39, 1, 173-175, https://doi.org/10.1021/jf00001a034
. [all data]
Suárez, Duque, et al., 1991
Suárez, M.; Duque, C.; Wintoch, H.; Schreier, P.,
Glycosidically bound aroma compounds from the pulp and the peelings of lulo fruit (Solanum vestissimum D.),
J. Agric. Food Chem., 1991, 39, 9, 1643-1645, https://doi.org/10.1021/jf00009a022
. [all data]
Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P.,
Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit,
J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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