Methyl 6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate
- Formula: C11H16O2
- Molecular weight: 180.2435
- IUPAC Standard InChI: InChI=1S/C11H16O2/c1-11(2)7-4-5-8(9(11)6-7)10(12)13-3/h5,7,9H,4,6H2,1-3H3
- IUPAC Standard InChIKey: HBIHNNBZGOVTTR-UHFFFAOYSA-N
- CAS Registry Number: 30649-97-9
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Bicyclo[3.1.1]hept-2-ene-2-carboxylic acid, 6,6-dimethyl-, methyl ester; 2-Norpinene-2-carboxylic acid, 6,6-dimethyl-, methyl ester; Methyl myrtenate; Myrtenic acid methyl ester
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1301.3 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1275. | Guy and Vernin, 1996 | He, 70. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1282. | Weyerstahl, Marschall, et al., 1998 | He; Column length: 25. m; Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | NB-351 | 1670. | Kerrola, Galambosi, et al., 1994 | 25. m/0.32 mm/0.2 μm; Program: 40C(5min) => 4C/min => 170C => 8C/min => 240C (12min) |
References
Go To: Top, Gas Chromatography, 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]
Guy and Vernin, 1996
Guy, I.; Vernin, G.,
Minor compounds from Cistus ladaniferus L. essential oil from esterel. 2. Acids and phenols,
J. Essent. Oil Res., 1996, 8, 4, 455-462, https://doi.org/10.1080/10412905.1996.9700666
. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Weirauch, M.; Thefeld, K.; Surburg, H.,
Constituents of commercial Labdanum oil,
Flavour Fragr. J., 1998, 13, 5, 295-318, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<295::AID-FFJ751>3.0.CO;2-I
. [all data]
Kerrola, Galambosi, et al., 1994
Kerrola, K.; Galambosi, B.; Kallio, H.,
Volatile components and odor intensity of four phenotypes of hyssop (Hyssopus officinalis L.),
J. Agric. Food Chem., 1994, 42, 3, 776-781, https://doi.org/10.1021/jf00039a035
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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