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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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 |
|---|---|---|---|
| Active phase | VF-5MS | DB-5 | BPX-5 |
| Column length (m) | 30. | 30. | 50. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.50 |
| Program | 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C | 50C (1min) => 5C/min => 100C => 10C/min => 250C (9min) | 0 0C (8 min) -> (1 min) -> 50 0C (2 min) 2.5 0C/min -> 100 0C 6 0C/min -> 250 0C |
| I | 1357. | 1373. | 1382. |
| Reference | Carasek and Pawliszyn, 2006 | Beaulieu and Grimm, 2001 | Bauchot, Mottram, et al., 1998 |
| Comment | 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.
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]
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]
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]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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