1-Hexadecanol
- Formula: C16H34O
- Molecular weight: 242.4406
- IUPAC Standard InChI: InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
- IUPAC Standard InChIKey: BXWNKGSJHAJOGX-UHFFFAOYSA-N
- CAS Registry Number: 36653-82-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: n-Cetyl alcohol; n-Hexadecan-1-ol; n-Hexadecanol; n-1-Hexadecanol; Adol 52; Adol 52 NF; Adol 54; Aldol 54; Alfol 16; Atalco C; Cachalot C-51; Cachalot C-52; Cetaffine; Cetal; Cetalol CA; Cetanol; Cetylic alcohol; Cetylol; Crodacol C; Crodacol-CAS; Crodacol-CAT; Elfacos C; Ethal; Ethol; Hexadecanol; Hexadecyl alcohol; Hyfatol 16; Lanol C; Lorol 24; Loxanol K; Loxanol K extra; Loxanwachs SK; Palmityl alcohol; Product 308; Siponol wax-A; Siponol CC; 1-Hexadecyl alcohol; Alcohol c-16; Hexadecan-1-ol; n-Hexadecyl alcohol; 1-Hydroxyhexadecane; Adol 520; Cachalot C-50; CO-1670; CO-1695; Dytol F-11; Cachalot C-50 NF; Cetyl alcohol NF; Crodacol C70; Crodacol C95 NF; Epal 16NF; Fancol CA; Lanette 16; Lipocol C; Lorol C16; LorolL 24; Philcohol 1600; Rita CA; Cetyl alcohol; 1-Hexanedecanol; 1-Cetanol; Epal 16; Hyfatol 16-95; Laurex 16; Alfol 16RD; Kalcol 6098; Palmitic alcohol; 19141-82-3; SSD; SSD RP; 8023-37-8; 124-29-8; 8032-16-4; 8032-89-1; 8032-17-5; SSD (Salt/Mix); SSD RP (Salt/Mix)
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Normal alkane 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 | SLB-5 MS | SLB-5 MS | Siloxane, 5 % Ph | HP-5 MS | HP-5 MS |
| Column length (m) | 30. | 30. | |||
| Carrier gas | Helium | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | not specified | not specified | not specified | not specified | not specified |
| I | 1884. | 1885. | 1894. | 1878. | 1895. |
| Reference | Mondello, 2012 | Mondello, 2012 | VOC BinBase, 2012 | Payo, Colo, et al., 2011 | Payo, Colo, et al., 2011 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Polydimethyl siloxane, 5 % phenyl | HP-5 | DB-1 | ZB-1 MS | BPX-5 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Program | not specified | not specified | not specified | 50 0C 3 0C/min -> 150 0C (10 min) 10 0C/min -> 250 0C | 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) |
| I | 1894. | 1876. | 1871. | 1854. | 1888. |
| Reference | Skogerson, Wohlgemuth, et al., 2011 | Kahriman, Tosun, et al., 2010 | Xu, Tang, et al., 2010 | Al-Reza, Rahman, et al., 2009 | se Souza, Cardeal, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | HP-1 | HP-5MS | HP-5MS | DB-5 |
| Column length (m) | 30. | 25. | 30. | 30. | 50. |
| Carrier gas | Helium | He | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.17 | 0.25 | 0.25 | 0.25 |
| Program | not specified | not specified | 40C(3min) => 8C/min => 160C => 15C/min => 300C (10min) | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 60 0C (1 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C |
| I | 1875. | 1865. | 1870. | 1881. | 1876. |
| Reference | se Souza, Cardeal, et al., 2009 | Wetwiayaklung, Thavanapong, et al., 2009 | Liu, Song, et al., 2007 | Moronkola, Ogunwande, et al., 2007 | Nivinsliene, Butkiene, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 8 CB | HP-5 | BPX-5 | HP-5MS | DB-5 |
| Column length (m) | 50. | 30. | 60. | 30. | |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.25 | |
| Program | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 280 0C (3 min) | 35C => 5C/min => 220C => 10C/min => 240C(5min) | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | 35C => 5C/min => 160C => 10C/min => 220C (10min) | not specified |
| I | 1876. | 1881. | 1894. | 1881. | 1876. |
| Reference | Radusiene, Judzentiene, et al., 2007 | Demyttenaere, Sánchez Martínez, et al., 2003 | Machiels, van Ruth, et al., 2003 | Demyttenaere, Sánchez Martínez, et al., 2002 | Morteza-Semnani and Vahedi, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-5 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | 40C => 2C/min => 60C => 4C/min => 260C |
| I | 1878. |
| Reference | Andrade, Maia, et al., 2000 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Mondello, 2012
Mondello, L.,
HS-SPME-GCxGC-MS analysis of Yerba Mate (Ilex paraguariensis)
in Shimadzu GC-GC application compendium of comprehensive 2D GC, Vol. 1-5, Shimadzu Corp., 2012, 1-29. [all data]
VOC BinBase, 2012
VOC BinBase,
The volatile compound BinBase (VOC BinBase), 2012, retrieved from http://fiehnlab.ucdavis.edu/projects/VocBinBase and http://binbase.sourceforge.net. [all data]
Payo, Colo, et al., 2011
Payo, D.A.; Colo, J.; Calumpong, H.; de Clerck, O.,
Variability of non-polar secondary metabolites in the Red Alga Portieria,
Mar Drugs, 2011, 9, 11, 2438-2468, https://doi.org/10.3390/md9112438
. [all data]
Skogerson, Wohlgemuth, et al., 2011
Skogerson, K.; Wohlgemuth, G.; Fiehn, O.,
VocBinNase, 2011, retrieved from http://fiehnlab.ucdavis.edu/projects//VocBinBase. [all data]
Kahriman, Tosun, et al., 2010
Kahriman, N.; Tosun, G.; Genc, H.; Yayli, N.,
Comparative essential oil analysis of Geranium sylvaticum estracted by hydrodistillation and microwave distillation,
Turk. J. Chem., 2010, 34, 969-976. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Al-Reza, Rahman, et al., 2009
Al-Reza, S.M.; Rahman, A.; Kang, S.C.,
Chemical composition and inhibitory effect of essentiasl oil and organic extracts of Cestrum nocturnum L. om food-borne pathogens,
Int. J. Food Sci. Technol., 2009, 44, 6, 1176-1182, https://doi.org/10.1111/j.1365-2621.2009.01939.x
. [all data]
se Souza, Cardeal, et al., 2009
se Souza, P.P.; Cardeal, Z.DeL.; Augusti, R.; Morrison, P.; Marriott, P.J.,
Determination of volatile compounds in Brazilian distilled cachaca by using comprehensive two-dimensional gas chromatography and effects of production pathways,
J. Chromatogr. A., 2009, 1216, 14, 2881-2890, https://doi.org/10.1016/j.chroma.2008.10.061
. [all data]
Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J.,
Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction,
Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]
Liu, Song, et al., 2007
Liu, L.; Song, G.; Hu, Y.,
GC?MS Analysis of the Essential Oils of Piper nigrum L. and Piper longum L.,
Chromatographia, 2007, 66, 9-10, 785-790, https://doi.org/10.1365/s10337-007-0408-2
. [all data]
Moronkola, Ogunwande, et al., 2007
Moronkola, D.O.; Ogunwande, I.A.; Walker, T.M.; Setzer, W.N.; Oyewole, I.O.,
Identification of the main volatile compounds in the leaf and flower of Tithonia diversifolia (Hemsl) Gray,
J. Nat. Med., 2007, 61, 1, 63-66, https://doi.org/10.1007/s11418-006-0019-5
. [all data]
Nivinsliene, Butkiene, et al., 2007
Nivinsliene, O.; Butkiene, R.; Gudalevic, A.; Mockute, D.; Meskauskiene, V.; Grigaliunaite, B.,
Influence of urban environment on chemical composition of Tilia cordata essential oil,
Chemija, 2007, 18, 1, 44-49. [all data]
Radusiene, Judzentiene, et al., 2007
Radusiene, J.; Judzentiene, A.; Peciulyte, D.; Janulis, V.,
Essential Oil Composition and Antimicrobial Assay of Acorus calamus Leaves from Different Wild Populations,
Plant Genetic Resources: Characterization and Utilization, 2007, 5, 1, 37-44, https://doi.org/10.1017/S1479262107390928
. [all data]
Demyttenaere, Sánchez Martínez, et al., 2003
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Verhé, R.; Sandra, P.; de Kimpe, N.,
Analysis of volatiles of malt whisky by solid-phase microextraction and stir bar sorptive extraction,
J. Chromatogr. A, 2003, 985, 1-2, 221-232, https://doi.org/10.1016/S0021-9673(02)01471-1
. [all data]
Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L.,
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats,
Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4
. [all data]
Demyttenaere, Sánchez Martínez, et al., 2002
Demyttenaere, J.C.R.; Sánchez Martínez, J.I.; Téllez Valdés, M.J.; Verhé, R.; Sandra, P.,
Analysis of volatile esters of malt whisky using solid phase microextraction and dynamic headspace
in 25th International Symposium on Capillary Chromatography, 2002, 1-13. [all data]
Morteza-Semnani and Vahedi, 2002
Morteza-Semnani, K.; Vahedi, M.,
Volatile constituents of Iranian Hypericum perforatum L.,
Proceedings of ICNP-2002 - Trabzon/Turkiye, 2002, 342-344. [all data]
Andrade, Maia, et al., 2000
Andrade, E.H.A.; Maia, J.G.S.; Zoghbi, M.G.B.,
Aroma volatile constituents of Brazilian varieties of mango fruit,
J. Food Comp. Anal., 2000, 13, 1, 27-33, https://doi.org/10.1006/jfca.1999.0841
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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