Acetic acid, phenylmethyl ester
- Formula: C9H10O2
- Molecular weight: 150.1745
- IUPAC Standard InChI: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
- 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
View 3d structure (requires JavaScript / HTML 5) - 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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Normal alkane 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 | HP-Innowax | DB-Wax | Innowax | Supelcowax-10 | PEG-20M |
| Column length (m) | 50. | 60. | 60. | 30. | 50. |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.20 |
| Tstart (C) | 45. | 60. | 60. | 50. | 40. |
| Tend (C) | 190. | 180. | 240. | 220. | 180. |
| Heat rate (K/min) | 4. | 3. | 5. | 4. | 3. |
| Initial hold (min) | 2. | 8. | 3. | 5. | |
| Final hold (min) | 50. | 80. | 30. | 30. | 30. |
| I | 1743. | 1765. | 1739. | 1725. | 1720. |
| Reference | Soria, Sanz, et al., 2008 | Wei A. and Shibamoto T., 2007 | Joichi, Yomogida, et al., 2005 | Wong and Tan, 2005 | Narain, Almeida, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 50. | 25. | 60. | 60. | 30. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 45. | 50. | 40. | 60. | 50. |
| Tend (C) | 190. | 200. | 220. | 180. | 180. |
| Heat rate (K/min) | 4. | 5. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 10. | 4. | ||
| Final hold (min) | 50. | 10. | 40. | ||
| I | 1746. | 1714. | 1726. | 1743. | 1727. |
| Reference | Soria, Gonzalez, et al., 2004 | Agnaniet, Mounzeo, et al., 2003 | Hayata, Sakamoto, et al., 2002 | Ito, Sugimoto, et al., 2002 | Lee and Shibamoto, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | PEG-20M | PEG-20M | DB-Wax | Carbowax 20M |
| Column length (m) | 30. | 60. | 60. | 60. | 50. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 70. | 70. | 70. | 50. | 60. |
| Tend (C) | 240. | 220. | 210. | 180. | 180. |
| Heat rate (K/min) | 5. | 3. | 3. | 2.5 | 2. |
| Initial hold (min) | 8. | 5. | 4. | ||
| Final hold (min) | 20. | ||||
| I | 1703. | 1738. | 1738. | 1692. | 1686. |
| Reference | Kim, Kim, et al., 2000 | Hirose, Joichi, et al., 1999 | Awano, Honda, et al., 1997 | Stashenko, Torres, et al., 1995 | Kawakami and Kobayashi, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Supelcowax-10 |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | |
| Tstart (C) | 60. |
| Tend (C) | 220. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 1. |
| Final hold (min) | |
| I | 1759. |
| Reference | Loughrin, Hamilton-Kemp, et al., 1990 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Wei A. and Shibamoto T., 2007
Wei A.; Shibamoto T.,
Antioxidant activities and volatile constituents of various essential oils,
J. Agric. Food Chem., 2007, 55, 5, 1737-1742, https://doi.org/10.1021/jf062959x
. [all data]
Joichi, Yomogida, et al., 2005
Joichi, A.; Yomogida, K.; Awano, K.; Ueda, Y.,
Volatile components of tea-scented modern roses and ancient Chinese roses,
Flavour Fragr. J., 2005, 20, 2, 152-157, https://doi.org/10.1002/ffj.1388
. [all data]
Wong and Tan, 2005
Wong, K.C.; Tan, C.H.,
Volatile constituents of the flowers of Clerodendron fragrans (Vent.) R. Br.,
Flavour Fragr. J., 2005, 20, 4, 429-430, https://doi.org/10.1002/ffj.1457
. [all data]
Narain, Almeida, et al., 2004
Narain, N.; Almeida, J.N.; Galvão, M.S.; Madruga, M.S.; de Brito, E.S.,
Volatile compounds in passion fruit (Passiflora edulis forma Flavicarpa) and yellow mombin (Spondias mombin L.) fruits obtained by dynamic headspace technique,
Cienc. Tecnol. Aliment. Campinas, 2004, 24, 2, 212-216, https://doi.org/10.1590/S0101-20612004000200009
. [all data]
Soria, Gonzalez, et al., 2004
Soria, A.C.; Gonzalez, M.; de Lorenzo, C.; Martinez-Castro, I.; Sanza, J.,
Characterization of artisanal honeys from Madrid (Central Spain) on the basis of their melissopalynological, physicochemical and volatile composition data,
Food Chem., 2004, 85, 1, 121-130, https://doi.org/10.1016/j.foodchem.2003.06.012
. [all data]
Agnaniet, Mounzeo, et al., 2003
Agnaniet, H.; Mounzeo, H.; Menut, C.; Bessiere, J.-M.; Criton, M.,
The essential oils of Rinorea subintegrifolia O. Ktze and Drypetes gossweileri S. Moore occurring in Gabon,
Flavour Fragr. J., 2003, 18, 3, 207-210, https://doi.org/10.1002/ffj.1185
. [all data]
Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y.,
Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column,
J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517
. [all data]
Ito, Sugimoto, et al., 2002
Ito, Y.; Sugimoto, A.; Kakuda, T.; Kubota, K.,
Identification of potent odorants in Chinese jasmine green tea scented with flowers of Jasminum sambac,
J. Agric. Food Chem., 2002, 50, 17, 4878-4884, https://doi.org/10.1021/jf020282h
. [all data]
Lee and Shibamoto, 2001
Lee, K.-G.; Shibamoto, T.,
Antioxidant property of aroma extract isolated from clove buds [Syzygium aromaticum (L.) Merr. et Perry],
Food Chem., 2001, 74, 4, 443-448, https://doi.org/10.1016/S0308-8146(01)00161-3
. [all data]
Kim, Kim, et al., 2000
Kim, H.-J.; Kim, K.; Kim, N.-S.; Lee, D.-S.,
Determination of floral fragrances of Rosa hybrida using solid-phase trapping-solvent extraction and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 902, 2, 389-404, https://doi.org/10.1016/S0021-9673(00)00863-3
. [all data]
Hirose, Joichi, et al., 1999
Hirose, S.; Joichi, A.; Nakamura, S.; Awano, K.,
Volatile components of musky scent of orchids,
Flavour Fragr. J., 1999, 14, 3, 183-184, https://doi.org/10.1002/(SICI)1099-1026(199905/06)14:3<183::AID-FFJ804>3.0.CO;2-S
. [all data]
Awano, Honda, et al., 1997
Awano, K.; Honda, T.; Ogawa, T.; Suzuki, S.; Matsunaga, Y.,
Volatile components of Phalaenopsis schilleriana Rehb. f.,
Flavour Fragr. J., 1997, 12, 5, 341-344, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<341::AID-FFJ657>3.0.CO;2-L
. [all data]
Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M.,
A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development,
J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Loughrin, Hamilton-Kemp, et al., 1990
Loughrin, J.H.; Hamilton-Kemp, T.R.; Andersen, R.A.; Hildebrand, D.F.,
Headspace compounds from flowers of Nicotiana tabacum and related species,
J. Agric. Food Chem., 1990, 38, 2, 455-460, https://doi.org/10.1021/jf00092a027
. [all data]
Notes
Go To: Top, Normal alkane 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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