Nerolidol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChIKey: FQTLCLSUCSAZDY-KAMYIIQDSA-N
- CAS Registry Number: 142-50-7
- 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:
- Stereoisomers:
- Other names: 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, [S-(Z)]-; 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (Z)-(S)-(+)-; (+)-Nerolidol; D-Nerolidol; Nerolidol, cis-(+)-; Peruviol; 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol, (Z)-(S)-(+)-; (6Z)-3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (3S,6Z)-; NSC 60598; (Z)-Nerolidol; cis-Nerolidol; Nerolidol (Z); (Z)-β-Nerolidol; cis-Nerolidol A
- Information on this page:
- Other data available:
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Van Den Dool and Kratz 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 | SE-52 | SE-52 | 5 % Phenyl methyl siloxane | CP-Sil5 CB MS | DB-1 |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.15 | 0.15 | 0.15 | 0.25 | 0.1 |
Program | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(1min) => 25C/min => 120C => 2C/min => 190C => 25C/min => 250C (5min) | 40C(5min) => 20C/min => 100C => 2C/min => 160C => 40C/min => 250C (5min) |
I | 1501. | 1562. | 1563. | 1516.1 | 1510.4 |
Reference | Guerrini, Sacchetti, et al., 2006 | Bruni, Pellati, et al., 2005 | Sacchetti, Maietti, et al., 2005 | Helmig, Bocquet, et al., 2004 | Helmig, Bocquet, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | DB-1 | SE-52 | SE-52 |
Column length (m) | 30. | 30. | 60. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.32 | 0.52 | 0.32 |
Phase thickness (μm) | 0.25 | 0.15 | 0.40 |
Program | 40C(5min) => 20C/min => 100C => 2C/min => 160C => 40C/min => 250C (5min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min) |
I | 1512.2 | 1563. | 1535. |
Reference | Helmig, Bocquet, et al., 2004 | Sacchetti, Medici, et al., 2004 | Mondello, Dugo, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Guerrini, Sacchetti, et al., 2006
Guerrini, A.; Sacchetti, G.; Muzzoli, M.; Rueda, G.M.; Medici, A.; Besco, E.; Bruni, R.,
Composition of the Volatile Fraction of Ocotea bofo Kunth (Lauraceae) Calyces by GC-MS and NMR Fingerprinting and Its Antimicrobial and Antioxidant Activity,
J. Agric. Food Chem., 2006, 54, 20, 7778-7788, https://doi.org/10.1021/jf0605493
. [all data]
Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A.,
Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection,
J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654
. [all data]
Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
. [all data]
Helmig, Bocquet, et al., 2004
Helmig, D.; Bocquet, F.; Pollmann, J.; Revermann, T.,
Analytical techniques for sesquiterpene emission rate studies in vegetation enclosure experiments,
Atmos. Environ., 2004, 38, 4, 557-572, https://doi.org/10.1016/j.atmosenv.2003.10.012
. [all data]
Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R.,
Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils,
J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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