3,7-Octadiene-2,6-diol, 2,6-dimethyl-
- Formula: C10H18O2
- Molecular weight: 170.2487
- IUPAC Standard InChI: InChI=1S/C10H18O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5-7,11-12H,1,8H2,2-4H3/b7-6+
- IUPAC Standard InChIKey: QEOHJVNDENHRCH-VOTSOKGWSA-N
- CAS Registry Number: 13741-21-4
- 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. - Species with the same structure:
- Other names: 1,5-Octadiene-3,7-diol, 3,7-dimethyl-; 2,6-Dimethyl-3,7-octadiene-2,6-diol; 1,5-Octadien-3,7-diol, 3,7-dimethyl; 2,6-Dimethyl-3,7-octadien-2,6-diol; 2,6-Dimethylocta-3,7-dien-2,6-diol; 2,6-Dimethylocta-3,7-diene-2,6-diol; 3,7-Dimethyl-1,5-octadien-3,7-diol; 3,7-Dimethyl-1,5-octadiene-3,7-diol; 3,7-Dimethyloct-1,5-dien-3,7-diol; 3,7-Dimethylocta-1,5-diene-3,7-diol; trans-3,7-dimethyl-1,5-octadiene-3,7-diol; (E)-2,6-Dimethyl-3,7-octadien-2,6-diol
- Information on this page:
- Other data available:
- Options:
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-101 | 1219. | Politeo, Jukic, et al., 2007 | 25. m/0.20 mm/0.20 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
| Capillary | Equity-5 | 1199. | Rocha, Coelho, et al., 2007 | 60. m/0.25 mm/1. μm, He, 40. C @ 1. min, 5. K/min, 260. C @ 15. min |
| Capillary | DB-5MS | 1176. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 2. K/min; Tstart: 40. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | BPX-5 | 1229. | Cardeal, da Silva, et al., 2006 | 30. m/0.25 mm/0.25 μm; Program: 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) |
| Capillary | DB-5MS | 1186. | Boulanger and Crouzet, 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) |
| Capillary | DB-5 | 1173. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| Capillary | DB-5 | 1189. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| Capillary | DB-5 | 1189. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| Capillary | DB-5 | 1194. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| Capillary | DB-5 | 1189. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
| Capillary | DB-5 | 1191. | Boulanger, Chassagne, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2; Program: 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 1903. | Politeo, Jukic, et al., 2007, 2 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min |
| Capillary | ZB-Wax | 1936. | Ugliano, Bartowsky, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 4. K/min, 220. C @ 10. min |
| Capillary | Carbowax 20M | 1914. | Verzera, Campisi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1949. | Aubert, Ambid, et al., 2003 | 30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 3. K/min, 245. C @ 20. min |
| Capillary | DB-Wax | 1949. | Aubert, Günata, et al., 2003 | 30. m/0.32 mm/0.5 μm, 40. C @ 3. min, 2. K/min, 245. C @ 20. min |
| Capillary | DB-Wax | 1913.3 | Pet'ka, Mocák, et al., 2001 | 30. m/0.32 mm/0.25 μm, H2, 35. C @ 0.5 min, 4. K/min; Tend: 220. C |
| Capillary | CP-Wax 52CB | 1914. | Verzera, Campisi, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
| Capillary | DB-Wax | 1969. | Wirth, Guo, et al., 2001 | 30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
| Capillary | DB-Wax | 1949. | Bureau, Baumes, et al., 2000 | 30. m/0.32 mm/0.5 μm, He, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
| Capillary | DB-Wax | 1951. | Bureau, Razungles, et al., 2000 | 30. m/0.32 mm/0.5 μm, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
| Capillary | DB-Wax | 1949. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C |
| Capillary | DB-Wax | 1926. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 1928. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 1927. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | DB-Wax | 1928. | Suárez, Duque, et al., 1991 | 30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; Tend: 240. C |
| Capillary | Carbowax 20M | 1925. | Schwab, Mahr, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min; Tend: 240. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SOLGel-Wax | 1910. | Aubert, Baumann, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) |
| Capillary | Carbowax 20M | 1969. | Boido, Lloret, et al., 2003 | 25. m/0.32 mm/0.25 μm, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C |
| Capillary | Carbowax 20M | 1969. | Boido, Lloret, et al., 2003 | 25. m/0.32 mm/0.25 μm, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C |
| Capillary | DB-Wax | 1945. | Boulanger and Crouzet, 2000 | 30. m/0.25 mm/0.25 μm, H2; Program: 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DP-5 | 1197. | Vijayakumar, Duraipandiyan, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 80. C @ 1. min, 4. K/min, 300. C @ 40. min |
| Capillary | OV-1 | 1167. | Nibret and Wink, 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 300. C @ 10. min |
| Capillary | SPB-5 | 1198. | Kilic, Kollmannsberger, et al., 2005 | He, 5. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 100. C; Tend: 250. C |
| Capillary | SE-54 | 1183. | Kilic, Hafizoglu, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 2. K/min; Tend: 260. C |
| Capillary | BPX-5 | 1204. | D'Arcy, Rintoul, et al., 1997 | 50. m/0.22 mm/0.25 μm, He, 50. C @ 1. min, 3. K/min, 250. C @ 10. min |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax Etr | 1963. | Ibarz, Ferreira, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min |
| Capillary | DB-Wax | 1945. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 1945. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
| Capillary | DB-Wax | 1928. | Morales, Duque, et al., 2000 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min |
| Capillary | DB-Wax | 1981. | Morales, Duque, et al., 2000 | 25. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min |
| Capillary | Carbowax 20M | 1907. | Kawakami, Ganguly, et al., 1995 | 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 180. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax Etr | 1963. | Loskos, Hernandez-Orte, et al., 2007 | 60. m/0.25 mm/0.5 μm, He; Program: 40C(3min) => 10C/min => 90C => 2C/min => 230C (37min) |
| Capillary | Carbowax 20M | 1914. | Editorial paper, 2005 | Program: not specified |
| Capillary | Carbowax 20M | 1930. | Vinogradov, 2004 | Program: not specified |
| Capillary | HP-Innowax FSC | 1961. | Kaya, Demirci, et al., 2001 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | DB-Wax | 1957. | Schneider, Razungles, et al., 2001 | 30. m/0.25 mm/0.5 μm, He; Program: 30C => 70C/min => 60C (3min) => 3C/min => 245C (20min) |
| Capillary | CP-Wax 52CB | 1958. | López-Tamames, Carro-Mariño, et al., 1997 | 25. m/0.3 mm/1.2 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C |
| Capillary | CP-Wax 52 CB | 1958. | Carro Marino, López Tamames, et al., 1995 | H2; Column length: 30. m; Column diameter: 0.32 mm; Program: 60 0C 2 0C/min -> 220 0C 3 0C/min -> 245 0C |
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.
Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M.,
Chemical Composition and Antioxidant Activity of Free Volatile Aglycones from Laurel (Laurus nobilis L.) Compared to Its Essential Oil,
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Rocha, S.M.; Coelho, E.; Zrostlikova, J.; Delgadillo, I.; Coimbra b, M.A.,
Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability,
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Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
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Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
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Boulanger and Crouzet, 2000
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Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds,
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Boulanger, Chassagne, et al., 1999
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Free and bound flavour components of amazonian fruits. 1: Bacuri,
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Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil,
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Ugliano, Bartowsky, et al., 2006
Ugliano, M.; Bartowsky, E.J.; McCarthy, J.; Moio, L.; Henschke, P.A.,
Hydrolysis and Transformation of Grape Glycosidically Bound Volatile Compounds during Fermentation with Three Saccharomyces Yeast Strains,
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Verzera, Campisi, et al., 2005
Verzera, A.; Campisi, S.; Zappalá, M.,
SUPELCO. Using SPME-GC-MS to characterize volatile components of honey as indicators of botanical origin, 2005, retrieved from http://www.sigmaaldrich.com/Brands/SupelcoHome/TheReporter.html. [all data]
Aubert, Ambid, et al., 2003
Aubert, C.; Ambid, C.; Baumes, R.; Günata, Z.,
Investigation of bound aroma constituents of yellow-fleshed nectarines (Prunus persica L. Cv. Springbright). Changes in bound aroma profile during maturation,
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Aubert, Günata, et al., 2003
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Changes in physicochemical characteristics and volatile constituents of yellow- and white-fleshed nectarines during maturation and artificial ripening,
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Verzera, Campisi, et al., 2001
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SPME-GC-MS analysis of honey volatile components for the characterization of different floral origin,
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Wirth, J.; Guo, W.; Baumes, R.; Günata, Z.,
Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars,
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Bureau, Baumes, et al., 2000
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Effects of vine or bunch shading on the glycosylated flavor precursors in grapes of Vitis vinifera L. Cv. Syrah,
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Bureau, Razungles, et al., 2000
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The aroma of Muscat of Frontignan grapes: effect of the light environment of vine or bunch on volatiles and glycoconjugates,
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Suárez, Duque, et al., 1991
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Glycosidically bound aroma compounds from the pulp and the peelings of lulo fruit (Solanum vestissimum D.),
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Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P.,
Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit,
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Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H.,
Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes,
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Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E.,
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Nibret and Wink, 2009
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Volatile components of four Ethiopian Artemisia species extracts and their in vitro antipatrypanosomal and cytotoxic activities,
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Kilic, Kollmannsberger, et al., 2005
Kilic, A.; Kollmannsberger, H.; Nitz, S.,
Glycosidically bound volatiles and flavor precursors in Laurus nobilis L.,
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Kilic, Hafizoglu, et al., 2004
Kilic, A.; Hafizoglu, H.; Kollmannsberger, H.; Nitz, S.,
Volatile constituents and key odorants in leaves, buds, flowers, and fruits of Laurus nobilis L.,
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D'Arcy, Rintoul, et al., 1997
D'Arcy, B.R.; Rintoul, G.B.; Rowland, C.Y.; Blackman, A.J.,
Composition of Australian honey extractives. 1. Norisoprenoids, monoterpenes, and other natural volatiles from blue gum (Eucalyptus leucoxylon) and yellow box (Eucalyptus melliodora) honeys,
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Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J.,
Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes,
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Jiang and Kubota, 2004
Jiang, L.; Kubota, K.,
Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.),
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Morales, Duque, et al., 2000
Morales, A.L.; Duque, C.; Bautista, E.,
Identification of free and glycosidically bound volatiles and glycosides by capillary GC and capillary GC-MS in Lulo del Chocó (Solanum topiro),
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Kawakami, Ganguly, et al., 1995
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Loskos, Hernandez-Orte, et al., 2007
Loskos, N.; Hernandez-Orte, P.; Cacho, J.; Ferreira, V.,
Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions,
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Editorial paper, 2005
Editorial paper,
Solid Phase Microextraction (SPME) Application Guide,
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Vinogradov, 2004
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Kaya, Demirci, et al., 2001
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The composition of the essential oil of Stachys iberica subsp. stenostachya growing in Turkey,
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Schneider, Razungles, et al., 2001
Schneider, R.; Razungles, A.; Augier, C.; Baumes, R.,
Monoterpenic and norisoprenoidic glycoconjugates of Vitis vinifera L. cv. Melon B. as precursors of odorants in Muscadet wines,
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López-Tamames, Carro-Mariño, et al., 1997
López-Tamames, E.; Carro-Mariño, N.; Gunata, Y.Z.; Sapis, C.; Baumes, R.; Bayonove, C.,
Potential aroma in several varieties of Spanish grapes,
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Carro Marino, López Tamames, et al., 1995
Carro Marino, N.; López Tamames, E.; García Jares, C.M.,
Contribution to the study of the aromatic potential of three muscat Vitis vinifera varieties: identification of new compounds,
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. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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