Lavandulyl acetate
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h6,12H,3,7-8H2,1-2,4-5H3
- IUPAC Standard InChIKey: HYNGAVZPWWXQIU-UHFFFAOYSA-N
- CAS Registry Number: 20777-39-3
- 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: (-)-Lavandulyl acetate; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, acetate, (R)-; (.+/-.)-Lavandulol, acetate; 2-Isopropenyl-5-methyl-4-hexenyl acetate; (E)-Lavandulyl acetate; Lavendulyl acetate; (R)-2-isopropenyl-5-methylhex-4-enyl acetate
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- Other data available:
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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 | SPB-1 | SE-52 |
| Column length (m) | 30. | 27. | 60. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.40 |
| Program | Multi-step temperature program; T(initial)=60C; T(final)=270C | 60C => 3C/min => 180C => 8C/min => 250C (5min) | 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
| I | 1284.1 | 1275. | 1289. |
| Reference | Tret'yakov, 2008 | Sanz, Soria, et al., 2004 | Mondello, Dugo, et al., 1995 |
| 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.
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Sanz, Soria, et al., 2004
Sanz, J.; Soria, A.C.; García-Vallejo, M.C.,
Analysis of volatile components of Lavandula luisieri L. by direct thermal desorption-gas chromatography-mass spectrometry,
J. Chromatogr. A, 2004, 1024, 1-2, 139-146, https://doi.org/10.1016/j.chroma.2003.10.024
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [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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