3-Phenyl-1-propanol, acetate
- Formula: C11H14O2
- Molecular weight: 178.2277
- IUPAC Standard InChI: InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
- IUPAC Standard InChIKey: JRJGKUTZNBZHNK-UHFFFAOYSA-N
- CAS Registry Number: 122-72-5
- 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: Benzenepropyl acetate; 1-Propanol, 3-phenyl-, acetate; γ-Phenylpropyl acetate; (3-Acetoxypropyl)benzene; Hydrocinnamyl acetate; 3-Acetoxy-1-phenylpropane; 3-Phenylpropyl acetate; Phenylpropyl acetate; 3-Phenyl-1-propyl acetate; 1-Acetoxy-3-phenylpropane; Benzenepropanol, 1-acetate; Benzenepropanol, acetate; NSC 404453; Acetic acid, 3-phenylpropyl ester
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Normal alkane 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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | RTX-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 60. | ||
| Carrier gas | Nitrogen | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.50 | 0.25 | ||
| Program | not specified | not specified | 60 0C 95 min) 110 0C 3 0C/min -> 200 0C 5 0C/min -> 220 0C 95 min) | 35 0C (6 min) 5 0C/min -> 50 0C 2 0C/min -> 70 0C 3 0C/min -> 150 0C 5 0C/min -> 200 0C | 50C => 5C/min => 100C => 15C/min => 250C (19C) |
| I | 1373. | 1378. | 1374. | 1368. | 1373. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Leela, Vipin, et al., 2009 | Soares, Pereira, et al., 2007 | Beaulieu, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-5MS | SE-30 |
| Column length (m) | 30. | |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | |
| Phase thickness (μm) | 0.25 | |
| Program | 40C => 2C/min => 60C => 4C/min => 260C | not specified |
| I | 1364. | 1347. |
| Reference | Maia, Andrade, et al., 2004 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Leela, Vipin, et al., 2009
Leela, N.K.; Vipin, T.M.; Shafeekh, K.M.; Priyanka, V.; Rema, J.,
Chemical composition of essential oils from aerial parts of Cinnamomum malabatrum (Burman f.) Bercht Presl.,
Flavor Fragr. J., 2009, 24, 1, 13-16, https://doi.org/10.1002/ffj.1910
. [all data]
Soares, Pereira, et al., 2007
Soares, F.D.; Pereira, T.; Marques, M.O.M.; Monteiro, A.R.,
Volatile and Non-volatile Chemical Composition of the White Guava fruit (Psidium guaiava) at different Stages of Maturity,
Food Chem., 2007, 100, 1, 15-21, retrieved from http://www.aseanfood.info/Articles/11016448.pdf, https://doi.org/10.1016/j.foodchem.2005.07.061
. [all data]
Beaulieu, 2005
Beaulieu, J.C.,
Within-Season Volatile and Quality Differences in Stored Fresh-Cut Cantaloupe Cultivars,
J. Agric. Food Chem., 2005, 53, 22, 8679-8687, https://doi.org/10.1021/jf050241w
. [all data]
Maia, Andrade, et al., 2004
Maia, J.G.S.; Andrade, E.H.A.; Zoghbi, M.G.B.,
Aroma volatiles from two fruit varieties of jackfruit (Artocarpus heterophyllus Lam.),
Food Chem., 2004, 85, 2, 195-197, https://doi.org/10.1016/S0308-8146(03)00292-9
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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