2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, acetate, cis-
- Formula: C12H18O2
- Molecular weight: 194.2701
- IUPAC Standard InChI: InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h5,11-12H,1,6-7H2,2-4H3/t11-,12-/m0/s1
- IUPAC Standard InChIKey: YTHRBOFHFYZBRJ-RYUDHWBXSA-N
- CAS Registry Number: 1205-42-1
- 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. - Stereoisomers:
- Other names: p-Mentha-6,8-dien-2-ol, acetate, cis-; cis-Carvyl acetate; Carvyl acetate (Z); Z-Carvyl acetate; 2-Cyclohexen-1-ol, 2-methyl-5-(1-methylethenyl)-, 1-acetate, (1R,5R)-rel-; cis-Carveyl acetate; cis-Carveol acetate; cis-Carveol, O-(acetyl)-; cis-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-yl acetate
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Van Den Dool and Kratz RI, non-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 | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | RTX-1 | DB-5 | HP-5MS | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 50. |
| Tend (C) | 250. | 230. | 250. | 280. | 280. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 8. | 5. | |||
| Final hold (min) | 30. | 30. | 10. | ||
| I | 1365. | 1342. | 1362. | 1381. | 1362. |
| Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Muselli, Rossi, et al., 2007 | Yu, Liao, et al., 2007 | Chorianopoulos, Kalpoutzakis, et al., 2004 | Economakis, Skaltsa, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-5MS | OV-1 | OV-101 | OV-101 |
| Column length (m) | 30. | 25. | 50. | 50. |
| Carrier gas | He | N2 | N2 | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.3 | ||
| Tstart (C) | 60. | 50. | 80. | 80. |
| Tend (C) | 280. | 200. | 200. | 200. |
| Heat rate (K/min) | 4. | 3. | 2. | 2. |
| Initial hold (min) | 5. | 1. | ||
| Final hold (min) | 20. | |||
| I | 1362. | 1310. | 1311. | 1315. |
| Reference | Skaltsa, Mavrommati, et al., 2001 | Bicchi, Rubiolo, et al., 1998 | Yang, Sugisawa, et al., 1992 | Yang, Sugisawa, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F.,
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation,
Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773
. [all data]
Muselli, Rossi, et al., 2007
Muselli, A.; Rossi, P.-G.; Desjobert, J.-M.; Bernardini, A.-F.; Berti, L.; Costa, J.,
Chemical composition and antibacterial activity of Otanthus maritimus (L.) Hoffmanns. Link essential oils from Corsica,
Flavour Fragr. J., 2007, 22, 3, 217-223, https://doi.org/10.1002/ffj.1787
. [all data]
Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima,
Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004
. [all data]
Chorianopoulos, Kalpoutzakis, et al., 2004
Chorianopoulos, N.; Kalpoutzakis, E.; Aligiannis, N.; Mitaku, S.; Nychas, G.-J.; Haroutounian, S.A.,
Essential oils of Satureja, Origanum, and Thymus species: chemical composition and antibacterial activities against foodborne pathogens,
J. Agric. Food Chem., 2004, 52, 26, 8261-8267, https://doi.org/10.1021/jf049113i
. [all data]
Economakis, Skaltsa, et al., 2002
Economakis, C.; Skaltsa, H.; Demetzos, C.; Sokovic, M.; Thanos, C.A.,
Effect of phosphorus concentration of the nutrient solution on the volatile constituents of leaves and bracts of Origanum dictamnus,
J. Agric. Food Chem., 2002, 50, 22, 6276-6280, https://doi.org/10.1021/jf0203444
. [all data]
Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T.,
A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae),
Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6
. [all data]
Bicchi, Rubiolo, et al., 1998
Bicchi, C.; Rubiolo, P.; Marschall, H.; Weyerstahl, P.; Laurent, R.,
Constituents of Artemisia roxburghiana Besser essential oil,
Flavour Fragr. J., 1998, 13, 1, 40-46, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<40::AID-FFJ688>3.0.CO;2-Z
. [all data]
Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-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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