1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
- IUPAC Standard InChIKey: FQTLCLSUCSAZDY-UHFFFAOYSA-N
- CAS Registry Number: 7212-44-4
- 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. - Stereoisomers:
- Other names: Nerolidol; 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene; (.+/-.)-Nerolidol; 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol; FCI 119b; 3,7,11-trimethyl-1,6,10-dodecatrien-3-ol (nerolidol); Z,E-Nerolidol; 3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
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- Other data available:
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Kovats' RI, 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 | Supelcowax | Innowax | Supelcowax-10 | Supelcowax-10 | Carbowax 20M |
| Column length (m) | 30. | 30. | 60. | 60. | 50. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | ||
| Tstart (C) | 60. | 50. | 35. | 35. | 70. |
| Tend (C) | 240. | 250. | 200. | 200. | 210. |
| Heat rate (K/min) | 3. | 0.5 | 3. | 3. | 2. |
| Initial hold (min) | 5. | 5. | 5. | 5. | |
| Final hold (min) | 10. | 10. | 20. | 20. | |
| I | 1991. | 2030. | 2053. | 2053. | 2009. |
| Reference | Riu-Aumatell, Castellari, et al., 2004 | Viña and Murillo, 2003 | Wong and Teng, 1994 | Wong and Tie, 1993 | Gaydou, Randriamiharisoa, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 70. | 70. | 50. | 50. |
| Carrier gas | N2 | N2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.28 | 0.28 | 0.28 | 0.28 |
| Phase thickness (μm) | ||||
| Tstart (C) | 80. | 80. | 70. | 70. |
| Tend (C) | 200. | 200. | 190. | 190. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 2000. | 2000. | 2021. | 2020. |
| Reference | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 | Tressl, Friese, et al., 1978 | Tressl, Friese, et al., 1978, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Riu-Aumatell, Castellari, et al., 2004
Riu-Aumatell, M.; Castellari, M.; López-Tamames, E.; Galassi, S.; Buxaderas, S.,
Characterisation of volatile compounds of fruit juices and nectars by HS/SPME and GC/MS,
Food Chem., 2004, 87, 4, 627-637, https://doi.org/10.1016/j.foodchem.2003.12.033
. [all data]
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008
. [all data]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [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]
Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P.,
Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar,
J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028
. [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]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beer,
J. Agric. Food Chem., 1978, 26, 6, 1422-1426, https://doi.org/10.1021/jf60220a037
. [all data]
Tressl, Friese, et al., 1978, 2
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' RI, 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
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