Phytol

Formula: C₂₀H₄₀O
Molecular weight: 296.5310
IUPAC Standard InChI: InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m0/s1
IUPAC Standard InChIKey: BOTWFXYSPFMFNR-PFIWFTBQSA-N
CAS Registry Number: 150-86-7
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- 3,7,11,15-Tetramethyl-2-hexadecen-1-ol
- cis-Phytol
Other names: 2-Hexadecen-1-ol, 3,7,11,15-tetramethyl-, [R-[R*,R*-(E)]]-; trans-Phytol; 3,7,11,15-Tetramethyl-2-hexadecen-1-ol-, (2E,7R,11R)-; (2E,7R,11R)-3,7,11,15-Tetramethyl-2-hexadecen-1-ol; 3,7,11,15-teramethyl-2-hexadecene-1-ol-, (2E,7R,11R)-; (E)-Phytol; 5016-81-9; 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; 3,7,11,15-teramethyl-2-hexadecene-1-ol; 3,7,11,15-tetramethylhexadec-2-en-1-ol
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
- Gas Chromatography
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Van Den Dool and Kratz RI, non-polar column, custom temperature program

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

Column type	Capillary	Capillary	Capillary	Capillary	Capillary
Active phase	HP-5MS	DB-5	DB-5MS	SE-52	HP-1
Column length (m)	30.		30.	60.	50.
Carrier gas	He		He	He	He
Substrate
Column diameter (mm)	0.25		0.25	0.32	0.32
Phase thickness (μm)	0.25		0.25	0.40	1.05
Program	60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)	not specified	40 (5min) => 4C/min => 140C => 4C/min => 200C (20min)	45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)	20C(0.5min) => 60C => 4C/min => 250C
I	2113.9	2128.	2128.	2110.	2125.
Reference	Andriamaharavo, 2014	Özel, Gögüs, et al., 2006	Zheng, Kim, et al., 2005	Mondello, Dugo, et al., 1995	Sing, Smadja, et al., 1992
Comment	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI	MSDC-RI

References

Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C., Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry, J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036 . [all data]

Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J., Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves, J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975 . [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]

Sing, Smadja, et al., 1992
Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P., Volatile constituents of faham (Jumellea fragrans (Thou.) Schltr.), J. Agric. Food Chem., 1992, 40, 4, 642-646, https://doi.org/10.1021/jf00016a024 . [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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