2,6-Octadien-1-ol, 3,7-dimethyl-, formate, (Z)-
- Formula: C11H18O2
- Molecular weight: 182.2594
- IUPAC Standard InChI: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
- IUPAC Standard InChIKey: FQMZVFJYMPNUCT-XFFZJAGNSA-N
- CAS Registry Number: 2142-94-1
- 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: 3,7-Dimethyl-2,6-octadien-1-ol, formate; Formic acid, neryl ester; Neryl formate; (Z)-3,7-Dimethylocta-2,6-dien-1-yl formate; 3,7-Dimethyl-cis-2,6-octadienyl formate
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Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1256. | Raina, Verma, et al., 2006 | 25. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | DB-5 | 1307. | Baranauskiene, Venskutonis, et al., 2003 | 50. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 5. K/min, 280. C @ 10. min |
| Capillary | BP-1 | 1261. | Raina, Lal, et al., 2002 | 60. m/0.32 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | BP-1 | 1264. | Jain, Aggarwal, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | BP-1 | 1268. | Kulkarni, Mallavarapu, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 220. C |
| Capillary | Methyl Silicone | 1271. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 220. C |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-1 | 1272. | Raina, Srivastava, et al., 2003 | 25. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Carbowax 20M | 150. | 1700. | ter Heide, 1968 | N2, Embacel; Column length: 2.5 m |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1641. | Kulkarni, Mallavarapu, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 200. C |
| Capillary | Carbowax 20M | 1708. | Mallavarapu, Rao, et al., 1998 | N2, 5. K/min; Column length: 25. m; Column diameter: 0.5 mm; Tstart: 60. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | RSL-200 | 1280. | Ngassoum, Ousmaila, et al., 2004 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | BP-1 | 1272. | Raina, Kumar, et al., 2004 | 30. m/0.32 mm/0.25 μm, N2, 5. K/min, 220. C @ 13. min; Tstart: 60. C |
| Capillary | CP Sil 5 CB | 1266. | Weyerstahl, Marschall, et al., 1999 | He, 5. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
| Capillary | Methyl Silicone | 1267. | Píry, Príbela, et al., 1995 | 25. m/0.2 mm/0.3 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
| Capillary | DB-1 | 1265. | Combariza, Tirado, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 70. C @ 5. min, 2.5 K/min, 250. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1284.1 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1668. | Píry, Príbela, et al., 1995 | 50. m/0.2 mm/0.2 μm, He, 30. C @ 2. min, 4. K/min, 170. C @ 20. min |
| Capillary | DB-Wax | 1687. | Combariza, Tirado, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 2. K/min, 150. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1284. | Kahriman, Tosun, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | BP-1 | 1263. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | DB-1 | 1267. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
| Capillary | HP-101 | 1259. | Demarne and van der Walt, 1993 | 50. m/0.32 mm/0.3 μm, H2, 65. C @ 5. min, 2. K/min; Tend: 300. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1282. | Kahriman, Tosun, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SE-30 | 1267. | Vinogradov, 2004 | Program: not specified |
| Capillary | 5 % Phenyl methyl siloxane | 1268. | Sagrero-Nieves and Bartley, 1995 | Program: not specified |
| Capillary | OV-101 | 1267. | Shibamoto, 1987 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BP-20 | 1666. | Ottavioli, Bighelli, et al., 2009 | 50. m/0.22 mm/0.25 μm, Helium, 2. K/min, 220. C @ 20. min; Tstart: 60. C |
| Capillary | Carbowax 20M | 1663. | Babu and Kaul, 2005 | 60. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 10. K/min, 190. C @ 15. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1663. | Vinogradov, 2004 | Program: not specified |
| Capillary | Carbowax 20M | 1663. | Shibamoto, 1987 | Program: not specified |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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., 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]
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]
Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S.,
Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India,
Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2
. [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]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S.,
Essential oil composition of Cymbopogon martinii from different places in India,
Flavour Fragr. J., 2003, 18, 4, 312-315, https://doi.org/10.1002/ffj.1222
. [all data]
ter Heide, 1968
ter Heide, R.,
Studies on terpenes. II. Characterization of monoterpene esters by gas and thin-layer chromatography,
Z. Anal. Chem., 1968, 236, 215-227. [all data]
Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G.,
Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon,
J. Food Comp. Anal., 2004, 17, 2, 197-204, https://doi.org/10.1016/j.jfca.2003.08.002
. [all data]
Raina, Kumar, et al., 2004
Raina, V.K.; Kumar, A.; Srivastava, S.K.; Syamsundar, K.V.; Kahol, A.P.,
Essential oil composition of 'kewda' (Pandanus odoratissimus) from India,
Flavour Fragr. J., 2004, 19, 5, 434-436, https://doi.org/10.1002/ffj.1331
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Wahlburg, H.-C.; Christiansen, C.; Rustaiyan, A.; Mirdjalili, F.,
Constituents of the essential oil of Pulicaria gnaphalodes (Vent.) Boiss. from Iran,
Flavour Fragr. J., 1999, 14, 2, 121-130, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<121::AID-FFJ790>3.0.CO;2-K
. [all data]
Píry, Príbela, et al., 1995
Píry, J.; Príbela, A.; Durcanská, J.; Farkas, P.,
Fractionation of volatiles from blackcurrant (Ribes nigrum L.) by different extractive methods,
Food Chem., 1995, 54, 1, 73-77, https://doi.org/10.1016/0308-8146(95)92665-7
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Combariza, Tirado, et al., 1994
Combariza, M.Y.; Tirado, C.B.; Stashenko, E.; Shibamoto, T.,
Limonene concentration in lemon (Citrus volkameriana) peel oil as a function of ripeness,
J. Hi. Res. Chromatogr., 1994, 17, 9, 643-646, https://doi.org/10.1002/jhrc.1240170905
. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Ottavioli, Bighelli, et al., 2009
Ottavioli, J.; Bighelli, A.; Casanova, J.; Bang, B.T.; Y.,
GC (retention indices), GC-MS, and 13C NMR of two citral-rich Cymbopogon leaf oils: C. Flexuosus and C. tortilis,
Spectroscopy Lett., 2009, 42, 8, 506-512, https://doi.org/10.1080/00387010903022350
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Tohar, Mohd, et al., 2006
Tohar, N.; Mohd, M.A.; Jantan, I.; Awang, K.,
A comparative study of the essential oils of the genus Plumeria Linn. from Malaysia,
Flavour Fragr. J., 2006, 21, 6, 859-863, https://doi.org/10.1002/ffj.1617
. [all data]
Demarne and van der Walt, 1993
Demarne, F.-E.; van der Walt, J.J.A.,
Composition of the Essential Oil of Pelargonium citronellum (Geraniaceae),
J. Essent. Oil Res., 1993, 5, 3, 233-238, https://doi.org/10.1080/10412905.1993.9698214
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [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
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Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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Babu and Kaul, 2005
Babu, K.G.D.; Kaul, V.K.,
Variation in essential oil composition of rose-scented geranium (Pelargonium sp.) distilled by different distillation techniques,
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Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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