Isoamyl laurate
- Formula: C17H34O2
- Molecular weight: 270.4507
- IUPAC Standard InChI: InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3
- IUPAC Standard InChIKey: FVKRIDSRWFEQME-UHFFFAOYSA-N
- CAS Registry Number: 6309-51-9
- 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: Dodecanoic acid, 3-methylbutyl ester; Isopentyl laurate; Lauric acid, isopentyl ester; 3-Methylbutyl dodecanoate; iso-Amyl n-dodecanoate; Isoamyl dodecanoate
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- Other data available:
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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 | BPX-5 | BPX-5 | SE-30 |
| Column length (m) | 30. | 30. | |||
| Carrier gas | Helium | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) | not specified | not specified |
| I | 1847. | 1847. | 1851. | 1844. | 1829. |
| Reference | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | se Souza, Cardeal, et al., 2009 | se Souza, Cardeal, et al., 2009 | Vinogradov, 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | HP-5 | HP-5MS |
| Column length (m) | 30. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 35C => 5C/min => 220C => 10C/min => 240C(5min) | 35C => 5C/min => 160C => 10C/min => 220C (10min) |
| I | 1844. | 1844. |
| Reference | Demyttenaere, Sánchez Martínez, et al., 2003 | Demyttenaere, Sánchez Martínez, et al., 2002 |
| 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]
se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J.,
Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways,
J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demyttenaere, Sánchez Martínez, et al., 2003
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Verhé, R.; Sandra, P.; de Kimpe, N.,
Analysis of volatiles of malt whisky by solid-phase microextraction and stir bar sorptive extraction,
J. Chromatogr. A, 2003, 985, 1-2, 221-232, https://doi.org/10.1016/S0021-9673(02)01471-1
. [all data]
Demyttenaere, Sánchez Martínez, et al., 2002
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Téllez Valdés, M.J.; Verhé, R.; Sandra, P.,
Analysis of volatile esters of malt whisky using solid phase microextraction and dynamic headspace
in 25th International Symposium on Capillary Chromatography, 2002, 1-13. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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