2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-
- Formula: C12H20O2
- Molecular weight: 196.2860
- IUPAC Standard InChI: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
- IUPAC Standard InChIKey: HIGQPQRQIQDZMP-FLIBITNWSA-N
- CAS Registry Number: 141-12-8
- 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: Nerol acetate; Neryl acetate; cis-Geranyl acetate; (2Z)-3,7-Dimethyl-2,6-octadienyl acetate; (Z)-3,7-Dimethyl-2,6-octadien-1-ol, acetate
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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-1 | HP-5 | BP-1 | BP-5 | SPB-5 |
| Column length (m) | 30. | 25. | 25. | 50. | 60. |
| Carrier gas | He | N2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 1. |
| Tstart (C) | 50. | 60. | 60. | 50. | 60. |
| Tend (C) | 280. | 240. | 220. | 260. | 200. |
| Heat rate (K/min) | 5. | 3. | 5. | 5. | 4. |
| Initial hold (min) | 3. | 2. | |||
| Final hold (min) | 13. | 5. | 30. | ||
| I | 1347. | 1368. | 1353. | 1369. | 1376. |
| Reference | Allegrone, Belliardo, et al., 2006 | Oliveira, Leitao, et al., 2006 | Raina, Verma, et al., 2006 | Baranauskiene, Venskutonis, et al., 2005 | Gauvin, Lecomte, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | DB-5 | CP Sil 5 CB | Methyl Silicone | BP-1 |
| Column length (m) | 30. | 50. | 25. | 50. | 60. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 50. | 70. | 60. |
| Tend (C) | 250. | 280. | 230. | 240. | 220. |
| Heat rate (K/min) | 2. | 5. | 3. | 4. | 5. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 5. | 10. | |||
| I | 1351. | 1366. | 1342. | 1352. | 1346. |
| Reference | Yadav, Chauhan, et al., 2004 | Baranauskiene, Venskutonis, et al., 2003 | Ogunwande, Olawore, et al., 2003 | Palá-Paúl, Pérez-Alonso, et al., 2002 | Raina, Lal, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | Cross-Linked Methylsilicone | HP-5MS | DB-5 | BP-1 |
| Column length (m) | 25. | 50. | 30. | 30. | 50. |
| Carrier gas | N2 | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.26 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 100. | 60. | 60. | 60. |
| Tend (C) | 220. | 280. | 280. | 246. | 260. |
| Heat rate (K/min) | 5. | 4. | 3. | 3. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | 15. | ||||
| I | 1328. | 1343. | 1365. | 1365. | 1342. |
| Reference | Raina, Srivastava, et al., 2002 | Rajeswara Rao, Kaul, et al., 2002 | Roussis, Tsoukatou, et al., 2000 | Adams, 1999 | Vera and Chane-Ming, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | Methyl Silicone | Methyl Silicone | OV-1 | SE-30 |
| Column length (m) | 50. | 30. | 25. | 30. | 25. |
| Carrier gas | He | N2 | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.5 | 0.31 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 3. | ||
| Tstart (C) | 60. | 60. | 60. | 70. | 60. |
| Tend (C) | 260. | 250. | 220. | 280. | 180. |
| Heat rate (K/min) | 2. | 2. | 5. | 10. | 3. |
| Initial hold (min) | 2. | 10. | |||
| Final hold (min) | 5. | 1. | |||
| I | 1345. | 1345. | 1342. | 1375. | 1340. |
| Reference | Vera and Chane-Ming, 1999 | Adegoke, Rao, et al., 1998 | Mallavarapu, Rao, et al., 1998 | Afsharypuor, Asgary, et al., 1996 | Jantan, Ahmad, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | SPB-1 | OV-101 | OV-101 |
| Column length (m) | 30. | 50. | 70. | 70. |
| Carrier gas | He | N2 | N2 | |
| Substrate | ||||
| Column diameter (mm) | 0.20 | 0.28 | 0.28 | |
| Phase thickness (μm) | ||||
| Tstart (C) | 40. | 35. | 80. | 80. |
| Tend (C) | 210. | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 3. | 2. | 2. |
| Initial hold (min) | 2. | 5. | ||
| Final hold (min) | 120. | 20. | ||
| I | 1368. | 1343. | 1337. | 1344. |
| Reference | Loayza, Abujder, et al., 1995 | Wong and Tie, 1993 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 |
| Comment | 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.
Allegrone, Belliardo, et al., 2006
Allegrone, G.; Belliardo, F.; Cabella, P.,
Comparison of volatile concentrations in hand-squeezed juices of four different lemon varieties,
J. Agric. Food Chem., 2006, 54, 5, 1844-1848, https://doi.org/10.1021/jf051206s
. [all data]
Oliveira, Leitao, et al., 2006
Oliveira, D.R.; Leitao, G.G.; Santos, S.S.; Bizzo, H.R.; Lopes, D.; Alviano, C.S.; Alviano, D.S.; Leitao, S.G.,
Ethnopharmacological study of two Lippia species from Oriximina, Brazil,
J. Ethnopharmacol., 2006, 108, 1, 103-108, https://doi.org/10.1016/j.jep.2006.04.018
. [all data]
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
. [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]
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Yadav, Chauhan, et al., 2004
Yadav, A.R.; Chauhan, A.S.; Rekha, M.N.; Rao, L.J.M.; Ramteke, R.S.,
Flavour quality of dehydrated lime [Citrus aurantifolia (Christm.) Swingle],
Food Chem., 2004, 85, 1, 59-62, https://doi.org/10.1016/j.foodchem.2003.06.002
. [all data]
Baranauskiene, Venskutonis, et al., 2003
Baranauskiene, R.; Venskutonis, R.P.; Demyttenaere, J.C.R.,
Sensory and instrumental evaluation of catnip (Nepeta cataria L.) aroma,
J. Agric. Food Chem., 2003, 51, 13, 3840-3848, https://doi.org/10.1021/jf021187b
. [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, Pérez-Alonso, et al., 2002
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Sanz, J.,
Essential oil composition of Schizogyne glaberrima DC, a species endemic to the Canary Islands,
Flavour Fragr. J., 2002, 17, 1, 13-14, https://doi.org/10.1002/ffj.1043
. [all data]
Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
. [all data]
Raina, Srivastava, et al., 2002
Raina, V.K.; Srivastava, S.K.; Syamasunder, K.V.,
The essential oil of 'greater galangal' [Alpinia galanga (L.) Willd.] from the lower Himalayan region of India,
Flavour Fragr. J., 2002, 17, 5, 358-360, https://doi.org/10.1002/ffj.1105
. [all data]
Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Water soluble fractions of rose scented geranium (Pelargonium species) essential oil,
Bioresour. Technol., 2002, 84, 3, 243-246, https://doi.org/10.1016/S0960-8524(02)00057-3
. [all data]
Roussis, Tsoukatou, et al., 2000
Roussis, V.; Tsoukatou, M.; Petrakis, P.V.; Chinou, I.; Skoula, M.; Harborne, J.B.,
Volatile constituents of four Helichrysum species growing in Greece,
Biochem. Syst. Ecol., 2000, 28, 2, 163-175, https://doi.org/10.1016/S0305-1978(99)00046-0
. [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]
Adegoke, Rao, et al., 1998
Adegoke, G.O.; Rao, L.J.M.; Shankaracharya, N.B.,
A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb,
Flavour Fragr. J., 1998, 13, 5, 349-352, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<349::AID-FFJ758>3.0.CO;2-O
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Afsharypuor, Asgary, et al., 1996
Afsharypuor, S.; Asgary, S.; Lockwood, G.B.,
Volatile constituents of Achillea millefolium L. ssp. millefolium from Iran,
Flavour Fragr. J., 1996, 11, 5, 265-267, https://doi.org/10.1002/(SICI)1099-1026(199609)11:5<265::AID-FFJ592>3.0.CO;2-F
. [all data]
Jantan, Ahmad, et al., 1996
Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N.,
Chemical composition of some citrus oils from Malaysia,
J. Essent. Oil Res., 1996, 8, 6, 627-632, https://doi.org/10.1080/10412905.1996.9701030
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.