2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, trans-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h6-7,9-11H,4-5H2,1-3H3/t9-,10+/m0/s1
- IUPAC Standard InChIKey: HPOHAUWWDDPHRS-VHSXEESVSA-N
- CAS Registry Number: 16721-39-4
- 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: (1R,6R)-6-Isopropyl-3-methylcyclohex-2-enol, rel-; p-Menth-1-en-3-ol, trans-; trans-p-Menth-1-en-3-ol; trans-Piperitol; 6-Isopropyl-3-methyl-2-cyclohexen-1-ol, (E)-; E-Piperitol; trans-3-methyl-6-(1-methylethyl)-2-cyclohexen-1-ol; 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-, (1R,6R)-rel-; Piperitol, trans-; trans-Pipertiol (=trans-p-Menth-1-en-3-ol); (E)-Piperitol acetate; Piperitol isomer; trans-Piperitol (trans-p-menth-1-en-3-ol); trans-piperitol (= trans- pmenth-1-en-3-ol); trans-6-(isopropyl)-3-methylcyclohex-2-en-1-ol
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- Other data available:
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Kovats' 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 | DB-5 | DB-5 | DB-5 | HP-5MS | BP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.25 | 0.26 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 50. | 50. |
| Tend (C) | 246. | 210. | 246. | 250. | 260. |
| Heat rate (K/min) | 3. | 2. | 3. | 3. | 5. |
| Initial hold (min) | 2. | 10. | 2. | ||
| Final hold (min) | 33. | 5. | 5. | ||
| I | 1205. | 1201. | 1205. | 1208. | 1197. |
| Reference | Adams, González Elizondo, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Adams and Nguyen, 2005 | Asuming, Beauchamp, et al., 2005 | Baranauskiene, Venskutonis, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | CP Sil 5 CB | SE-30 | SE-54 |
| Column length (m) | 30. | 30. | 25. | 25. | 30. |
| Carrier gas | H2 | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 50. | 70. | 60. |
| Tend (C) | 280. | 260. | 230. | 220. | 246. |
| Heat rate (K/min) | 4. | 3. | 3. | 4. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | 30. | ||||
| I | 1212. | 1208. | 1194. | 1194. | 1205. |
| Reference | Avato, Raffo, et al., 2004 | Lopes, Strobl, et al., 2004 | Ogunwande, Olawore, et al., 2003 | Palá-Paúl, Velasco-Negueruela, et al., 2002 | Adams, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-54 | DB-5 | DB-5 | BP-1 | BP-1 |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.26 | 0.26 | 0.26 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 246. | 246. | 246. | 260. | 260. |
| Heat rate (K/min) | 3. | 3. | 3. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1205. | 1205. | 1205. | 1181. | 1186. |
| Reference | Adams, 2000, 2 | Adams, 2000, 3 | Adams, 1999 | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Adams, González Elizondo, et al., 2006
Adams, R.P.; González Elizondo, M.S.; González Elizondo, M.; Slinkman, E.,
DNA fingerprinting and terpenoid analysis of Juniperus blancoi var. huehuentensis (Cupressaceae), a new subalpine variety from Durango, Mexico,
Biochem. Syst. Ecol., 2006, 34, 3, 205-211, https://doi.org/10.1016/j.bse.2005.11.004
. [all data]
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Adams and Nguyen, 2005
Adams, R.P.; Nguyen, S.,
Infra-specific variation in Juniperus deppeana and F. Sperryi in the Davis Mountains of Texas: variation in leaf essential oils and random amplified polymorphic DNAS (RAPDS),
Phytologia, 2005, 87, 2, 96-108. [all data]
Asuming, Beauchamp, et al., 2005
Asuming, W.A.; Beauchamp, P.S.; Descalzo, J.T.; Dev, B.C.; Dev, V.; Frost, S.; Ma, C.W.,
Essential oil composition of four Lomatium Raf. species and their chemotaxonomy,
Biochem. Syst. Ecol., 2005, 33, 1, 17-26, https://doi.org/10.1016/j.bse.2004.06.005
. [all data]
Baranauskiene, Venskutonis, et al., 2005
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of sweet marjoram (Origanum majorana L.) aroma,
Flavour Fragr. J., 2005, 20, 5, 492-500, https://doi.org/10.1002/ffj.1478
. [all data]
Avato, Raffo, et al., 2004
Avato, P.; Raffo, F.; Aldouri, N.A.; Vartanian, S.T.,
Essential oils of varthemia iphionoides from Jordan,
Flavour Fragr. J., 2004, 19, 6, 559-561, https://doi.org/10.1002/ffj.1351
. [all data]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Ogunwande, Olawore, et al., 2003
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; Koenig, W.A.,
Chemical composition of the leaf volatile oil of Psidium guajava L. growing in Nigeria,
Flavour Fragr. J., 2003, 18, 2, 136-138, https://doi.org/10.1002/ffj.1175
. [all data]
Palá-Paúl, Velasco-Negueruela, et al., 2002
Palá-Paúl, J.; Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Sanz, J.,
Essential oil composition of the aerial parts of Cachrys sicula L.,
Flavour Fragr. J., 2002, 17, 1, 64-68, https://doi.org/10.1002/ffj.1042
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of smooth leaf margin Juniperus of the western hemisphere based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 2000, 28, 2, 149-162, https://doi.org/10.1016/S0305-1978(99)00047-2
. [all data]
Adams, 2000, 2
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Adams, 2000, 3
Adams, R.P.,
The serrate leaf margined Juniperus (Section Sabina) of the western hemisphere: systematics and evolution based on leaf essential oils and Random Amplified Polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 10, 975-989, https://doi.org/10.1016/S0305-1978(00)00022-3
. [all data]
Adams, 1999
Adams, R.P.,
Systematics of multi-seeded eastern hemisphere Juniperus based on leaf essential oils and RAPD DNA fingerprinting,
Biochem. Syst. Ecol., 1999, 27, 7, 709-725, https://doi.org/10.1016/S0305-1978(99)00016-2
. [all data]
Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
. [all data]
Notes
Go To: Top, Kovats' 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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