Myrtenyl acetate
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3
- IUPAC Standard InChIKey: BKATZVAUANSCKN-UHFFFAOYSA-N
- CAS Registry Number: 1079-01-2
- 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: 2-Pinen-10-ol, acetate; Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, acetate, (1S)-; (1S)-6,6-Dimethylbicyclo(3.1.1)hept-2-ene-2-methanol acetate; (+)-Myrtenyl acetate; myrtenalacetate; (1S)-(6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl 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 | HP-5MS | VF-5MS | BPX-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | Multi-step temperature program; T(initial)=60C; T(final)=270C | 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
| I | 1326.8 | 1336.9 | 1336. |
| Reference | Andriamaharavo, 2014 | Tret'yakov, 2007 | Cardeal, da Silva, et al., 2006 |
| 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.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [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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