Butanoic acid, 3-hexenyl ester, (Z)-
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChI: InChI=1S/C10H18O2/c1-3-5-6-7-9-12-10(11)8-4-2/h5-6H,3-4,7-9H2,1-2H3/b6-5-
- IUPAC Standard InChIKey: ZCHOPXVYTWUHDS-WAYWQWQTSA-N
- CAS Registry Number: 16491-36-4
- 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. - Isotopologues:
- Stereoisomers:
- Other names: Butyric acid, 3-hexenyl ester, (Z)-; cis-Butyric acid, 3-hexenyl ester; cis-3-Hexen-1-yl butyrate; cis-3-Hexenyl butyrate; cis-3-Hexenyl n-butyrate; (3Z)-3-Hexenyl butyrate; 3-Hexen-1-ol, butanoate, (Z)-; 3(Z)-Hexenyl butanoate; Butanoic acid, (Z)-3-hexenyl ester; cis-3-Hexenyl butanoate; cis-Hex-3-enyl butanoate; cis-Hex-3-enyl butyrate; Hex-3(Z)-enyl butanoate; Hexenyl butanoate (3Z); (Z)-3-Hexen-1-ol, butanoate; (Z)-3-Hexen-1-yl butanoate; (Z)-3-Hexenyl butanoate; (Z)-3-Hexenyl butyrate; (Z)-Hex-3-enyl butanoate; (Z)-Hex-3-enyl butyrate
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Kovats' 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 |
|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | DB-Wax | DB-Wax |
| Column length (m) | 60. | 60. | 60. | 30. |
| Carrier gas | He | He | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | ||
| Tstart (C) | 35. | 40. | 40. | 60. |
| Tend (C) | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. |
| Initial hold (min) | 5. | 5. | 5. | 10. |
| Final hold (min) | 20. | |||
| I | 1464. | 1466. | 1464. | 1464. |
| Reference | Wong and Tie, 1993 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Umano, Shoji, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Umano, Shoji, et al., 1986
Umano, K.; Shoji, A.; Hagi, Y.; Shibamoto, T.,
Volatile constituents of peel of quince fruit, Cydonia oblonga Miller,
J. Agric. Food Chem., 1986, 34, 4, 593-596, https://doi.org/10.1021/jf00070a003
. [all data]
Notes
Go To: Top, Kovats' 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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