6-Octen-1-ol, 3,7-dimethyl-, acetate
- Formula: C12H22O2
- Molecular weight: 198.3019
- IUPAC Standard InChIKey: JOZKFWLRHCDGJA-UHFFFAOYSA-N
- CAS Registry Number: 150-84-5
- 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. - Other names: Citronellol acetate; Citronellyl acetate; Natural rhodinol, acetylated; 3,7-Dimethyl-6-octenyl acetate; β-Citronellyl acetate; Acetic acid, citronellyl ester; Acetic acid, 3,7-dimethyl-6-octen-1-yl ester; 1-Acetoxy-3,7-dimethyloct-6-ene; 2-Octen-8-ol, 2,6-dimethyl-, acetate; 3,7-Dimethyl-6-octen-1-yl acetate; Cephreine; β-Citronellol, acetate; CitronellyI acetate; 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate; NSC 4893; Cytronellyl acetate; Acetic acid, rhodinyl ester
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- Other data available:
- Options:
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 | RTX-5 MS | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | DB-5 | HP-5 |
Column length (m) | 30. | 60. | 30. | ||
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 1.00 | ||||
Program | not specified | not specified | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified |
I | 1354. | 1352. | 1353. | 1341. | 1354. |
Reference | Pinheiro, de Queiros, et al., 2013 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Miyazaki, Plotto, et al., 2011 | Riahi, Pourbasheer, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | HP-5 | 5 % Phenyl methyl siloxane | CP Sil 8 CB | HP-5 |
Column length (m) | 30. | 30. | 50. | 30. | |
Carrier gas | Helium | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40 0C (3 min) 3 0C/min -> 160 0C (2 min) 8 0C/min -> 220 0C (3 min) | not specified | not specified | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C |
I | 1354. | 1348. | 1362. | 1353. | 1356. |
Reference | Qiao, Xie, et al., 2008 | Qiao, Xie, et al., 2008 | Agabriel, Cornu, et al., 2007 | Radusiene, Judzentiene, 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-5MS | HP-5MS | DB-5 | CP Sil 8 CB | CP Sil 8 CB |
Column length (m) | 30. | 30. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C => 1.5C/min => 185C(1min) => 9C/min => 275C(2min) | 60C(1min) => 1.5C => 185C => 9C/min => 275C (2min) | 60C => 2C/min => 100C => 3C/min => 160C => 5C/min => 280C | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) | 50C(5min) => 2C/min => 90C => 15C/min => 240C(4min) |
I | 1353. | 1354. | 1354. | 1353. | 1353. |
Reference | Singh, Marimuthu, et al., 2006 | Singh G., Maurya S., et al., 2006 | Srivastava, Mallavarapu, et al., 2006 | Butkienë, Nivinskienë, et al., 2005 | Butkienë, Nivinskienë, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SE-30 | HP-5 | Methyl Silicone | SE-30 |
Column length (m) | 30. | 30. | 60. | ||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | 60C(4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified | 60C (4min) => 1C/min => 64C => 2.5C/min => 155C => 5C/min => 250C | not specified | 50 0C (5 min) 5 0C/min -> 165 0C 4 0C/min -> 230 0C |
I | 1356. | 1335. | 1356. | 1334. | 1337. |
Reference | Sotomayor, Martínez, et al., 2004 | Vinogradov, 2004 | Jordán, Martínez, et al., 2003 | Bakshu and Raju, 2002 | Li, Wu, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | CBP-1 | DB-5 | HP-1 | Methyl Silicone |
Column length (m) | 60. | 25. | 12. | ||
Carrier gas | He | Nitrogen | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.20 | ||
Phase thickness (μm) | 0.25 | 0.33 | |||
Program | not specified | not specified | not specified | 40 0C 6.7 0C/min -> 87 0C (9 min) 10 0C/min -> 187 0C | not specified |
I | 1335. | 1335. | 1351. | 1335. | 1337. |
Reference | Li, Wu, et al., 2002 | Ly, Yamauchi, et al., 2001 | Petrakis, Tsitsimpikou, et al., 2001 | Betts, 2000 | Zenkevich, 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|
Active phase | DB-1 | DB-5 | OV-101 | OV-101 |
Column length (m) | 30. | 2.5 | ||
Carrier gas | H2 | N2 | ||
Substrate | Chromosorb G 60-80mesh DMCS | |||
Column diameter (mm) | 0.25 | |||
Phase thickness (μm) | 0.25 | |||
Program | 45C => 3C/min => 175C => 15C => 240C(10min) | not specified | not specified | not specified |
I | 1343. | 1354. | 1335. | 1335. |
Reference | da Silva, Figueiredo, et al., 1998 | Isidorov, Zenkevich, et al., 1997 | Shibamoto, 1987 | Swigar and Silverstein, 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Pinheiro, de Queiros, et al., 2013
Pinheiro, P.F.; de Queiros, V.T.; Rondelli, V.M.; Costa, A.V.; MArcelino, T. deP.; Pratissoli, D.,
Insecticidal activity of citronells grass essential oil on Frankliniella schultzei and Myzus persicae,
Cienc. Agrotec. Lavras, 2013, 37, 2, 138-144, https://doi.org/10.1590/S1413-70542013000200004
. [all data]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
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Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
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Riahi, Pourbasheer, et al., 2009
Riahi, S.; Pourbasheer, E.; Ganjali, M.R.; Norouzi, P.,
Investigation of different linear and non-linear chemometric methods for modeling of retention index of essential oil components: Concerns to support vector mashine,
J. Hazard. Mat., 2009, 166, 2-3, 853-859, https://doi.org/10.1016/j.jhazmat.2008.11.097
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Qiao, Xie, et al., 2008
Qiao, Y.; Xie, B.J.; Zhang, Y.; Zhang, Y.; FAn, G.; Yao, X.L.; Pan, S.Y.,
Characterization of aroma active compounds in fruit juice and peel oil of Junchen sweet orange fruit (Citrus sinensis (L.) Osbeck) by GC-MS and GC-O,
Molecules, 2008, 13, 6, 1333-1344, https://doi.org/10.3390/molecules13061333
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Agabriel, Cornu, et al., 2007
Agabriel, C.; Cornu, A.; Journal, C.; Sibra, C.; Groller, C.; MArtin, B.,
Tanker milk variability according to farm feeding practices: vitamins A and E, carotenoids, color, and terpenoids,
J. Dairy Sci., 2007, 90, 10, 4884-4896, https://doi.org/10.3168/jds.2007-0171
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Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V.,
Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations,
Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928
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Jordan, Martinez, et al., 2006
Jordan, M.J.; Martinez, R.M.; Goodner, K.L.; Baldwin, E.A.; Sotomayor, J.A.,
Seasonal variation of Thymus hyemalis Lange and Spanish Thymus vulgaris L. essential oils composition,
Ind. Crops Prod., 2006, 24, 3, 253-263, https://doi.org/10.1016/j.indcrop.2006.06.011
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Singh, Marimuthu, et al., 2006
Singh, G.; Marimuthu, P.; de Heluani, C.S.; Catalan, C.A.N.,
Antioxidant and biocidal activities of Carum nigrum (seed) essential oil, oleoresin, and their selected components,
J. Agric. Food Chem., 2006, 54, 1, 174-181, https://doi.org/10.1021/jf0518610
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Singh G., Maurya S., et al., 2006
Singh G.; Maurya S.; de Lampasona M.P.; Catalan C.A.N.,
Studies on essential oils, Part 41. Chemical composition, antifungal, antioxidant and sprout suppressant activities of coriander (Coriandrum sativum) essential oil and its oleoresin,
Flavour Fragr. J., 2006, 21, 3, 472-479, https://doi.org/10.1002/ffj.1608
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Srivastava, Mallavarapu, et al., 2006
Srivastava, S.; Mallavarapu, G.R.; Rai, S.K.; Singh, D.; Mishra, R.; Pandey-Rai, S.; Kumar, S.,
Composition of the essential oils of the leaves and flowers of Rhus mysurensis Heyne ex Wight Arn growing in the Aravalli mountain range at New Delhi,
Flavour Fragr. J., 2006, 21, 2, 228-229, https://doi.org/10.1002/ffj.1561
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Butkienë, Nivinskienë, et al., 2005
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
α-Pinene chemotype of leaf (needle) essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2005, 16, 1, 53-60. [all data]
Butkienë, Nivinskienë, et al., 2004
Butkienë, R.; Nivinskienë, O.; Mockutë, D.,
Chemical composition of unripe and ripe berry essential oils of Juniperus communis L. growing wild in Vilnius district,
Chemija, 2004, 15, 4, 57-63. [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
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Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Jordán, Martínez, et al., 2003
Jordán, M.J.; Martínez, R.M.; Cases, M.A.; Sotomayor. J.A.,
Watering level effect on Thymus hyemalis lange essential oil yield and composition,
J. Agric. Food Chem., 2003, 51, 18, 5420-5427, https://doi.org/10.1021/jf034335m
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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
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Li, Wu, et al., 2002
Li, C.; Wu, H.; Yang, L.; ren, Y.,
Study of the composition of ginger oil from Laifeng,
Flavour Fragr. Cosmetics, 2002, 5, 15-17. [all data]
Ly, Yamauchi, et al., 2001
Ly, T.N.; Yamauchi, R.; KAto, K.,
Volatile components of the essential oils in Galanga (Alpina officinarum Hance) from Vietnam,
Food Sci. Technol. Res., 2001, 7, 4, 303-306, https://doi.org/10.3136/fstr.7.303
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Petrakis, Tsitsimpikou, et al., 2001
Petrakis, P.V.; Tsitsimpikou, C.; Tzakou, O.; Couladis, M.; Vagias, C.; Roussis, V.,
Needle volatiles from five Pinus species growing in Greece,
Flavour Fragr. J., 2001, 16, 4, 249-252, https://doi.org/10.1002/ffj.990
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Betts, 2000
Betts, T.J.,
Solid phase microextraction of volatile constituents from individual fresh Eucalyptis leaves of three species,
Planta Medica, 2000, 66, 2, 193-195, https://doi.org/10.1055/s-0029-1243133
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Zenkevich, 1999
Zenkevich, I.G.,
Analytical Parameters of Components of essential Oils for their Gas Chromatographic and Chromato-Mass-Spectral Identification. Acetates of Terpene Alcohols,
Rastitelnye Resursy (Plant Resources), 1999, 35, 1, 30-37. [all data]
da Silva, Figueiredo, et al., 1998
da Silva, J.A.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Gomes, M.A.; Fontinha, S.S.; Scheffer, J.J.C.,
Composition of the essential oil of Melanoselinum decipiens (Schrad. Wendl.) Hoffm., an endemic species of the Madeira and Azores archipelagos,
Flavour Fragr. J., 1998, 13, 2, 90-92, https://doi.org/10.1002/(SICI)1099-1026(199803/04)13:2<90::AID-FFJ700>3.0.CO;2-D
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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]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Swigar and Silverstein, 1981
Swigar, A.A.; Silverstein, R.M.,
Monoterpenes, Aldrich Chemical Company, Milwaukee, WI, USA, 1981, 130. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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