β-Nerolidol

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/b14-11+
IUPAC Standard InChIKey: FQTLCLSUCSAZDY-SDNWHVSQSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Species with the same structure:
- 1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-, (E)-
- β-Nerolidol
Stereoisomers:
Other names: p-neralidol
Information on this page:
Options:
- Switch to SI units

Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2003.	Nishimura, Yamaguchi, et al., 1989	2. K/min; Column length: 50. m; Column diameter: 0.22 mm; T_start: 80. C; T_end: 200. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Methyl Silicone	1552.	Píry, Príbela, et al., 1995	25. m/0.2 mm/0.3 μm, He, 2. K/min; T_start: 40. C; T_end: 200. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	VF-5MS	1540.	Carasek and Pawliszyn, 2006	30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 200C (2min) => 30C/min => 260C

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2003.	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

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	OV-101	1548.	Boyom, Keumedjio, et al., 2002	5. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_start: 50. C; T_end: 200. C
Capillary	OV-101	1546.	Menon, Chacko, et al., 1999	N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; T_start: 80. C
Capillary	HP-1	1555.	Stashenko, Cervantes, et al., 1998	60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 280. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SE-30	1553.	Vinogradov, 2004	Program: not specified
Capillary	Polydimethyl siloxanes	1524.	Zenkevich, 1997	Program: not specified
Capillary	OV-101	1553.	Shibamoto, 1987	Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Wax 52 CB	1994.	Chen, Chyau, et al., 2007	60. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	CP Wax 52 CB	1994.	Chen, Chyau, et al., 2007	60. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	CP Wax 52 CB	1994.	Chen, Chyau, et al., 2007	60. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	Carbowax	2000.	Menon, Chacko, et al., 1999	N2, 1. K/min, 200. C @ 20. min; Column length: 50. m; Column diameter: 0.2 mm; T_start: 80. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2000.	Vinogradov, 2004	Program: not specified
Capillary	Carbowax 20M	2000.	Shibamoto, 1987	Program: not specified

References

Go To: Top, Gas Chromatography, Notes

Nishimura, Yamaguchi, et al., 1989
Nishimura, O.; Yamaguchi, K.; Mihara, S.; Shibamoto, T., Volatile Constituents of Guava Fruits (Psidium guajava L.) and Canned Puree, J. Agric. Food Chem., 1989, 37, 1, 139-142, https://doi.org/10.1021/jf00085a033 . [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 . [all data]

Carasek and Pawliszyn, 2006
Carasek, E.; Pawliszyn, J., Screening of Tropical Fruit Volatile Compounds Using Solid-Phase Microextraction (SPME) Fibers and Internally Cooled SPME Fiber, J. Agric. Food Chem., 2006, 54, 23, 8688-8696, https://doi.org/10.1021/jf0613942 . [all data]

Boyom, Keumedjio, et al., 2002
Boyom, F.F.; Keumedjio, F.; Dongmo, P.M.J.; Ngadjui, B.T.; Zollo, A.; Menut, C.; Bessiere, J.M., Essential oils from Croton zambesicus Muell. Arg. growing in Cameroon, Flavour Fragr. J., 2002, 17, 3, 215-217, https://doi.org/10.1002/ffj.1081 . [all data]

Menon, Chacko, et al., 1999
Menon, A.N.; Chacko, S.; Narayanan, C.S., Free and glycosidically bound volatiles of cardamom (Eletteria cardamomum Maton var. miniscula Burkill), Flavour Fragr. J., 1999, 14, 1, 65-68, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<65::AID-FFJ789>3.0.CO;2-A . [all data]

Stashenko, Cervantes, et al., 1998
Stashenko, E.E.; Cervantes, M.; Combariza, Y.; Martínez, J.R., HRGC-FID-MSD Analysis of the Secondary Metabolites Obtained by Different Extraction Methods from Lepechinia schiedeana, and Evaluation of its Antioxidant Activity in vitro in 20th International Symposium on Capillary Chromatography, 1998, 1-11. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Zenkevich, 1997
Zenkevich, I.G., Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons, Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [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]

Chen, Chyau, et al., 2007
Chen, C.-C.; Chyau, C.-C.; Hseu, TY.-H., Production of a COX-2 inhibitor, 2,4,5-trimethoxybenzaldehyde, with submerged cultured Antrodia camphorata, Lett. Appl. Microbiol., 2007, 44, 4, 387-392, https://doi.org/10.1111/j.1472-765X.2006.02087.x . [all data]

Notes

Go To: Top, Gas Chromatography, References

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.