2-Heptanol, acetate
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-4-5-6-7-8(2)11-9(3)10/h8H,4-7H2,1-3H3
- IUPAC Standard InChIKey: VJYWBLDDQZIGJI-UHFFFAOYSA-N
- CAS Registry Number: 5921-82-4
- 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: 1-Methylhexyl acetate; 2-Heptyl acetate; Acetic acid, hept-2-yl ester
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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 |
|---|---|---|---|
| Active phase | AT-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 60. | 60. | |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 65. | 50. | 50. |
| Tend (C) | 250. | 225. | 160. |
| Heat rate (K/min) | 2. | 1.5 | 1. |
| Initial hold (min) | 10. | 10. | |
| Final hold (min) | 60. | 80. | |
| I | 1255. | 1250. | 1255. |
| Reference | Pino, Marbot, et al., 2001 | Chen and Ho, 1988 | Chen, Kuo, et al., 1982 |
| Comment | MSDC-RI | 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.
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Chen and Ho, 1988
Chen, C.-C.; Ho, C.-T.,
Gas chromatographic analysis of volatile components of ginger oil (Zingiber officinale Roscoe) extracted with liquid carbon dioxide,
J. Agric. Food Chem., 1988, 36, 2, 322-328, https://doi.org/10.1021/jf00080a020
. [all data]
Chen, Kuo, et al., 1982
Chen, C.-C.; Kuo, M.-C.; Hwang, L.S.; Wu, J.S.-B.; Wu, C.-M.,
Headspace components of passion fruit juice,
J. Agric. Food Chem., 1982, 30, 6, 1211-1215, https://doi.org/10.1021/jf00114a052
. [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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