2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChIKey: GLZPCOQZEFWAFX-YFHOEESVSA-N
- CAS Registry Number: 106-25-2
- 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. - Stereoisomers:
- Other names: cis-Geraniol; cis-3,7-Dimethyl-2,6-octadien-1-ol; Nerol; Neryl alcohol; 2-cis-3,7-Dimethyl-2,6-octadien-1-ol; (Z)-Geraniol; cis-2,6-Dimethyl-2,6-octadien-8-ol; (Z)-3,7-Dimethyl-2,6-octadien-1-ol; (Z)-Nerol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-; 3,7-Dimethyl-2,6-octadien-1-ol, cis-; 2,6-Dimethyl-2,6-octadien-8-ol; 3,7-Dimethyl-2,6-octadien-1-ol; Vernol; (2Z)-3,7-Dimethyl-2,6-octadien-1-ol; Nerol (cis-geraniol)
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Normal alkane 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 | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 MS | HP-5 MS | HP-5 | |
Column length (m) | 30. | 30. | |||
Carrier gas | Nitrogen | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | 35 0C (10 min) 3 0C/min -> 205 0C 10 0C/min -> 225 0C | not specified | not specified | not specified |
I | 1233. | 1228. | 1225. | 1229. | 1230. |
Reference | Karimi, Farmany, et al., 2011 | Laribi, Kouki, et al., 2011 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 | Bi Kouame, Bedi, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 MS | RTX-5 | RTX-5 | DB-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Nitrogen | Nitrogen | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1.0 | 0.25 | 0.25 | 0.25 |
Program | not specified | 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min) | 60 0C 95 min) 110 0C 3 0C/min -> 200 0C 5 0C/min -> 220 0C 95 min) | not specified | 50 0C 95 min) 3 0C/min -> 100 0C 4 0C/min -> 160 0C 5 0C/min -> 220 0C (15 min) |
I | 1230. | 1240. | 1230. | 1230. | 1255. |
Reference | Kahriman, Tosun, et al., 2010 | Dharmawan, Kasapis, et al., 2009 | Leela, Vipin, et al., 2009 | Leela, Vipin, et al., 2009 | Yang, Yang, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SLB-5 MS | HP-5 | HP-5 | HP-5 | HP-5 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | not specified | 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) | not specified |
I | 1229. | 1232. | 1237. | 1231. | 1225. |
Reference | Lo Presti, Sciarrone, et al., 2008 | Qiao, Xie, et al., 2008 | Qiao, Xie, et al., 2008 | Zhao, Li, et al., 2008 | Zhao, Li, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-1 | HP-5 | DB-1 | DB-5 |
Column length (m) | 30. | 50. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.1 | 0.33 | 0.25 | 0.25 | 0.25 |
Program | 35C => 4C/min => 180C => 10C/min => 250C | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) | 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
I | 1221. | 1214. | 1228. | 1206. | 1230. |
Reference | Albuquerque M.R.J.R., Costa S.M.O., et al., 2007 | Barra, Baldovini, et al., 2007 | Dou, Li, et al., 2007 | Ferreira, Meireles de Sousa, et al., 2007 | Nivinsliene, Butkiene, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | DB-1 | OV-1 | HP-5MS | HP-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | He | Helium | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 45C => 3C/min => 175C => 15C/min => 300C(10min) | 40 0C (2 min) 6 0C/min -> 130 0C 10 0C/min -> 300 0C | 40C(3min) => 6C/min => 160C => 10C/min => 300C (10min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
I | 1230. | 1206. | 1215. | 1230. | 1260. |
Reference | Radusiene, Judzentiene, et al., 2007 | Rodrigues, Antunes, et al., 2007 | Suschke, Sporer, et al., 2007 | Yu, Huang, et al., 2007 | Jordan, Martinez, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 MS | HP-5MS | DB-5 | SE-52 |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.15 |
Program | not specified | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 60C(1min) => 1.5C => 185C => 9C/min => 275C (2min) | 60C => 2C/min => 100C => 3C/min => 160C => 5C/min => 280C | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
I | 1228. | 1225. | 1230. | 1230. | 1230. |
Reference | Kucuk, Gulec, et al., 2006 | Schmidt, Noletto, et al., 2006 | Singh G., Maurya S., et al., 2006 | Srivastava, Mallavarapu, et al., 2006 | Tognolini, Barocelli, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5MS | DB-5 | HP-5 | HP-5 | Methyl Silicone |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 70C(2min) => 10C/min => 150C(15min) => 5C/min => 240C | 80 0C (1 min) 3 0C/min -> 180 0C 10 0C/min -> 300 0C (3 min) | not specified | 65C(1min) => 1C/min => 75C (2min) => 0.5C/min => 81C(2min) => 3C/min => 180C(7min) | not specified |
I | 1215. | 1228. | 1251. | 1230. | 1221. |
Reference | Bagci and Baser, 2005 | Blank, Fontes, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Singh, Maurya, et al., 2005 | Fu and Wang, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | DB-5 | DB-1 | HP-5 | SE-30 |
Column length (m) | 50. | 30. | 30. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) | not specified | 45C => 3C/min => 175C => 15C/min => 300C (10min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified |
I | 1228. | 1226. | 1206. | 1260. | 1214. |
Reference | Judpentienë and Mockutë, 2004 | Lo Cantore, Iacobellis, et al., 2004 | Miguel, Simões, et al., 2004 | Sotomayor, Martínez, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | Methyl Silicone | DB-1 | HP-5 | CP Sil 5 CB |
Column length (m) | 30. | 30. | 25. | ||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.39 | ||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | not specified | 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min) | 40C (6min) => 2.5C/min => 150C => 90C/min => 250C | not specified |
I | 1218. | 1214. | 1206. | 1228. | 1210. |
Reference | Vinogradov, 2004 | Bakshu and Raju, 2002 | Figueiredo, Miguel, et al., 2001 | Jordán, Shaw, et al., 2001 | Weyerstahl, Marschall, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-5 | Polydimethyl siloxanes | 5 % Phenyl methyl siloxane | DB-1 |
Column length (m) | 30. | 60. | |||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | |||
Phase thickness (μm) | 0.25 | ||||
Program | 45C => 3C/min => 175C => 15C/min => 240C (10min) | not specified | not specified | not specified | not specified |
I | 1206. | 1228. | 1216. | 1218. | 1209. |
Reference | Baratta, Dorman, et al., 1998 | Isidorov, Zenkevich, et al., 1997 | Zenkevich, 1997 | Sagrero-Nieves and Bartley, 1995 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed |
---|---|
Active phase | OV-101 |
Column length (m) | 2.5 |
Carrier gas | N2 |
Substrate | Chromosorb G 60-80mesh DMCS |
Column diameter (mm) | |
Phase thickness (μm) | |
Program | not specified |
I | 1218. |
Reference | Swigar and Silverstein, 1981 |
Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Karimi, Farmany, et al., 2011
Karimi, H.; Farmany, A.; Noorizadeh, H.,
Prediction of linear retention index of Teucrium chamaedrys volatiles in GCxGC-TOF/MS by linear model,
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Essential oil fatty acids composition of a Tunisian caraway (Carum carvi L.) seed ecotype cultivated under water deficit,
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Variability of non-polar secondary metabolites in the Red Alga Portieria,
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Bi Kouame, Bedi, et al., 2010
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Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
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Singh, Maurya, et al., 2005
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Studies on essential oils, Part 42: chemical, antifungal, antioxidant and sprout suppressant studies on ginger essential oil and its oleoresin,
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Fu and Wang, 2004
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Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector,
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Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius,
Chemija, 2004, 15, 4, 64-68. [all data]
Lo Cantore, Iacobellis, et al., 2004
Lo Cantore, P.; Iacobellis, N.S.; de Marco, A.; Capasso, F.; Senatore, F.,
Antibacterial activity of Coriandrum sativum L. and Foeniculum vulgare Miller Var. vulgare (Miller) essential oils,
J. Agric. Food Chem., 2004, 52, 26, 7862-7866, https://doi.org/10.1021/jf0493122
. [all data]
Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L.,
Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina,
Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031
. [all data]
Sotomayor, Martínez, et al., 2004
Sotomayor, J.A.; Martínez, R.M.; García, A.J.; Jordán, M.J.,
Thymus zygis Subsp. Gracilis: watering level effect on phytomass production and essential oil quality,
J. Agric. Food Chem., 2004, 52, 17, 5418-5424, https://doi.org/10.1021/jf0496245
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Bakshu and Raju, 2002
Bakshu, L.Md.; Raju, R.R.V.,
Essential oil composition and antimicrobial activity of tuberous roots of Pimpinella tirupatiensis Bal. Subr., an endemic taxon from eastern ghats, India,
Flavour Fragr. J., 2002, 17, 6, 413-415, https://doi.org/10.1002/ffj.1118
. [all data]
Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G.,
Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases,
Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028
. [all data]
Jordán, Shaw, et al., 2001
Jordán, M.J.; Shaw, P.E.; Goodner, K.L.,
Volatile components in aqueous essence and fresh fruit of Cucumis melo cv. Athena (muskmelon) by GC-MS and GC-O,
J. Agric. Food Chem., 2001, 49, 12, 5929-5933, https://doi.org/10.1021/jf010954o
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1
. [all data]
Baratta, Dorman, et al., 1998
Baratta, M.T.; Dorman, H.J.; Deans, S.G.; Figueiredo, A.C.; Barroso, J.G.; Ruberto, G.,
Antimicrobial and antioxidant properties of some commercial essential oils,
Flavour Fragr. J., 1998, 13, 4, 235-244, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<235::AID-FFJ733>3.0.CO;2-T
. [all data]
Isidorov, Zenkevich, et al., 1997
Isidorov, V.; Zenkevich, I.; Sacharevich, T.,
Calculation of Gas Chromatographic Retention Indices for Monoterpenes and Terpenoids from Their Physico-Chemical Constants,
Chem. Anal. (Warsaw), 1997, 42, 627-634. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Sagrero-Nieves and Bartley, 1995
Sagrero-Nieves, L.; Bartley, J.P.,
Volatile Constituents from the Leaves of Chenopodium ambrosioides L.,
J. Essent. Oil Res., 1995, 7, 2, 221-223, https://doi.org/10.1080/10412905.1995.9698506
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Notes
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