Acetic acid, phenylmethyl ester
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChIKey: QUKGYYKBILRGFE-UHFFFAOYSA-N
- CAS Registry Number: 140-11-4
- 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: Acetic acid, benzyl ester; α-Acetoxytoluene; Benzyl acetate; Benzyl ethanoate; NCI-C06508; Benzylester kyseliny octove; Phenylmethyl acetate; Benzyl ester of acetic acid; (Acetoxymethyl)benzene; Plastolin I; NSC 4550
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Van Den Dool and Kratz RI, non-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-5 | VF-5MS | DB-5 | DB-5MS | 5 % Phenyl methyl siloxane |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | 0.15 |
Program | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 50C => 5C/min => 200C => 8C/min => 260C(5min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
I | 1162. | 1160. | 1162. | 1172. | 1162. |
Reference | Andrade, Sampaio, et al., 2007 | Carasek and Pawliszyn, 2006 | Sampaio and Nogueira, 2006 | Selli, Rannou, et al., 2006 | Sacchetti, Maietti, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5 | BPX-5 | DB-1 | OV-1 |
Column length (m) | 30. | 30. | 50. | 15. | 2. |
Carrier gas | He | He | He | He | N2 |
Substrate | Gas Chrom Q | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | ||
Program | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | 50C => 6C/min => 100C => 4C/min => 280C | 0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C | not specified | not specified |
I | 1164. | 1163. | 1184. | 1137. | 1160. |
Reference | Beaulieu and Grimm, 2001 | Isidorov, Krajewska, et al., 2001 | Bauchot, Mottram, et al., 1998 | Mikolajczak, Zilkowski, et al., 1984 | Tomori, Kalasz, et al., 1974 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E.,
Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae),
Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751
. [all data]
Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J.,
Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber,
J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942
. [all data]
Sampaio and Nogueira, 2006
Sampaio, T.S.; Nogueira, P.C.L.,
Volatile components of mangaba fruit (Hancornia speciosa Gomes) at three stages of maturity,
Food Chem., 2006, 95, 4, 606-610, https://doi.org/10.1016/j.foodchem.2005.01.038
. [all data]
Selli, Rannou, et al., 2006
Selli, S.; Rannou, C.; Prost, C.; Robin, J.; Serot, T.,
Characterization of Aroma-Active Compounds in Rainbow Trout (Oncorhynchus mykiss) Eliciting an Off-Odor,
J. Agric. Food Chem., 2006, 54, 25, 9496-9502, https://doi.org/10.1021/jf0619582
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [all data]
Beaulieu and Grimm, 2001
Beaulieu, J.C.; Grimm, C.C.,
Identification of volatile compounds in cantaloupe at various developmental stages using solid phase microextraction,
J. Agric. Food Chem., 2001, 49, 3, 1345-1352, https://doi.org/10.1021/jf0005768
. [all data]
Isidorov, Krajewska, et al., 2001
Isidorov, V.A.; Krajewska, U.; Dubis, E.N.; Jdanova, M.A.,
Partition coefficients of alkyl aromatic hydrocarbons and esters in a hexane-acetonitrile system,
J. Chromatogr. A, 2001, 923, 1-2, 127-136, https://doi.org/10.1016/S0021-9673(01)00929-3
. [all data]
Bauchot, Mottram, et al., 1998
Bauchot, A.D.; Mottram, D.S.; Dodson, A.T.; John, P.,
Effect of aminocyclopropane-1-carboxylic acid oxidase antisense gene on the formation of volatile esters in cantaloupe charentais melon (Cv. Védrandais),
J. Agric. Food Chem., 1998, 46, 11, 4787-4792, https://doi.org/10.1021/jf980692z
. [all data]
Mikolajczak, Zilkowski, et al., 1984
Mikolajczak, K.L.; Zilkowski, B.W.; Smith, C.R., Jr.; Burkholder, W.E.,
Volatile food attractants for Oryzaephilus surinamensis (L.) from oats,
J. Chem. Ecol., 1984, 10, 2, 301-309, https://doi.org/10.1007/BF00987858
. [all data]
Tomori, Kalasz, et al., 1974
Tomori, E.; Kalasz, H.; Nagy, J.; Knoll, J.,
Gas Chromatographic Studies of Derivatives of Celluline-Like Substances,
J. Chromatogr., 1974, 91, 113-118, https://doi.org/10.1016/S0021-9673(01)97890-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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