1-Decanol
- Formula: C10H22O
- Molecular weight: 158.2811
- IUPAC Standard InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N
- CAS Registry Number: 112-30-1
- 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:
- Other names: Decyl alcohol; n-Decan-1-ol; n-Decanol; n-Decyl alcohol; Alcohol C10; Alfol 10; Capric alcohol; Caprinic alcohol; Decanol; Nonylcarbinol; Sipol L10; T-148; Decylic Alcohol; Decan-1-ol; Decanol-(1); Agent 504; Antak; Dytol S-91; Decyl, n- alcohol; Lorol 22; Primary decyl alcohol; Royaltac; C 10 alcohol; Epal 10; Royaltac-85; Royaltac M-2; Lorol C10; Nonylcacarbinol; 1-Hydroxydecane; Conol 10N; Kalcohl 10H; NSC 406313; Nacol 10-99
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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 | Polydimethyl siloxane with 5 % Ph groups | Polydimethyl siloxane with 5 % Ph groups | RTX-1 |
Column length (m) | 30. | 30. | 60. | ||
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.22 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | not specified | not specified | not specified | not specified |
I | 1266. | 1275. | 1279. | 1283. | 1259. |
Reference | Mondello, 2012 | Mondello, 2012 | Robinson, Adams, et al., 2012 | Robinson, Adams, et al., 2012 | Dib, Djabou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 MS | BPX-5 | BPX-5 | CP-Sil 5 Cb | DB-5 |
Column length (m) | 60. | 30. | 30. | 50. | 50. |
Carrier gas | Helium | Helium | Helium | Nitrogen | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 1.20 | 0.25 |
Program | 120 0C 2 0C/min -> 240 0C 10 0C/min -> 270 0C (2 min) | 35 0C (5 min) 3 0C/min -> 210 0C 40 0C/min -> 240 0C (10 min) | not specified | 40 0C 20 0C/min -> 85 0C 1 0C/min -> 145 0C 3 0C/min -> 250 0C (30 min) | 60 0C (2 min) 5 0C/min -> 160 0C (1 min) 10 0C/min -> 250 0C (3 min) |
I | 1279. | 1281. | 1285. | 1261. | 1269. |
Reference | Dharmawan, Kasapis, et al., 2009 | se Souza, Cardeal, et al., 2009 | se Souza, Cardeal, et al., 2009 | Collin, Nizet, et al., 2008 | Judzentiene and Budiene, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-1 | HP-5 MS | HP-5 MS | BP-5 | BP-5 |
Column length (m) | 30. | 30. | 30. | 25. | 25. |
Carrier gas | He | Helium | HGelium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.50 | 0.50 |
Program | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | not specified | 40 0C (3 min) 10 0C/min -> 108 0C 3 0C/min -> 188 0C 4 0C/min -> 280 0C (5 min) | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | not specified |
I | 1263. | 1272. | 1272. | 1287. | 1270. |
Reference | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Sharififar, Mozaffarian, et al., 2007 | Kawaree, Phutdhawong, et al., 2006 | Eyres, Dufour, et al., 2005 | Eyres, Dufour, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-5 | BP-5 | BP-5 | CP-Sil5 CB MS | HP-5 |
Column length (m) | 25. | 25. | 25. | 50. | |
Carrier gas | Helium | Helium | Helium | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | 0.50 | 0.50 | 0.50 | 1.2 | |
Program | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | 60 0C 6 0C/min -> 210 0C 10 0C/min -> 290 0C (10 min) | 36C(2min) => 20C/min => 85C => 1C/min => 145C => 3C/min => 250C(30min) | not specified |
I | 1281. | 1284. | 1287. | 1261. | 1269. |
Reference | Eyres, Dufour, et al., 2005 | Eyres, Dufour, et al., 2005 | Eyres, Dufour, et al., 2005 | Iraqi, Vermeulen, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | Methyl Silicone | SE-30 | Polydimethyl siloxane | HP-5 |
Column length (m) | 30. | 50. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | |||
Phase thickness (μm) | 0.25 | 1.05 | |||
Program | 30C(3min) => 5C/min => 80C => 4C/min => 95C => 5C/min => 115C => 10C/min => 200C | not specified | not specified | not specified | not specified |
I | 1272. | 1264. | 1263. | 1256. | 1272.1 |
Reference | Crook, Boylston, et al., 2004 | Fu and Wang, 2004 | Vinogradov, 2004 | Junkes, Castanho, et al., 2003 | David, Scanlan, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | CP Sil 5 CB | DB-1 | DB-1 | OV-101 |
Column length (m) | 30. | 25. | 60. | 60. | 50. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.39 | 0.32 | 0.32 | 0.24 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 45 0C 3 K/min -> 175 0C 15 K/min -> 300 0C (10 min) | not specified | not specified | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | not specified |
I | 1259. | 1259. | 1257. | 1257. | 1263. |
Reference | Figueiredo, Miguel, et al., 2001 | Weyerstahl, Marschall, et al., 1999 | Ciccioli, Cecinato, et al., 1994 | Ciccioli, Brancaleoni, et al., 1993 | Zenkevich and Malamakhov, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | OV-101 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | SF-96 | SF-96 |
Column length (m) | 50. | 50. | ||
Carrier gas | He | Hydrogen | He | He |
Substrate | ||||
Column diameter (mm) | 0.24 | 0.32 | ||
Phase thickness (μm) | ||||
Program | not specified | not specified | not specified | not specified |
I | 1283. | 1257. | 1249. | 1261. |
Reference | Zenkevich and Malamakhov, 1987 | Waggott and Davies, 1984 | Fagan, Kepner, et al., 1982 | Fagan, Kepner, et al., 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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]
Robinson, Adams, et al., 2012
Robinson, A.L.; Adams, D.O.; Boss, P.K.; Heymann, H.; Solomon, P.S.; Trengove, R.D.,
Influence of geographic origine on the sensory characteristics and wine composition of Vitus viniferas cv. Cabernet Sauvignon wines from Australia (Supplemental data),
Am. J. Enol. Vitic., 2012, 64, 4, 467-476, https://doi.org/10.5344/ajev.2012.12023
. [all data]
Dib, Djabou, et al., 2010
Dib, M.ElA.; Djabou, N.; Desjobert, L.-M.; Allali, H.; Tabti, B.; Muselli, A.; Costa, J.,
Characterization of volatile compounds of Daucus crinitus Desf. headspace solid phase microextraction as alternative technique to hydrodistillation,
Chem, Centr. J., 2010, 4, 16, 1-15. [all data]
Dharmawan, Kasapis, et al., 2009
Dharmawan, J.; Kasapis, S.; Sriramula, P.; Lear, M.J.; Curran, P.,
Evaluation of aroma-active compounds in Pontianak orange peel oil (Citrus nobilis Lour. var. microcarpa Hassk.) by gas chromatography - olfactometry, aroma reconstitution, and omission test,
J. Agric. Food Chem., 2009, 57, 1, 239-244, https://doi.org/10.1021/jf801070r
. [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]
Collin, Nizet, et al., 2008
Collin, S.; Nizet, S.; Muls, S.; Iraqi, R.; Bouseta, A.,
Characterization of odor-active compounds in extracts obtained by simultaneous extraction/distillation from Moroccan black olives,
J. Agric. Food Chem., 2008, 56, 9, 3273-3278, https://doi.org/10.1021/jf073488x
. [all data]
Judzentiene and Budiene, 2008
Judzentiene, A.; Budiene, J.,
Volatile constituents from aerial parts and roots of Cichorium intybis L. (chicory) grown in Lithuania,
Chemija, 2008, 19, 2, 25-28. [all data]
Bosch-Fuste, Riu-Aumatell, et al., 2007
Bosch-Fuste, J.; Riu-Aumatell, M.; Guadayol, J.M.; Caixach, J.; Lopez-Tamames, E.; Buxaderas, S.,
Volatile profiles of sparkling wines obtained by three extraction methods and gas chromatography-mass spectrometry (GC-MS) analysis,
Food Chem., 2007, 105, 1, 428-435, https://doi.org/10.1016/j.foodchem.2006.12.053
. [all data]
Sharififar, Mozaffarian, et al., 2007
Sharififar, F.; Mozaffarian, V.; Moradkhani, S.,
Comparison of antioxidant and free radical scavenging activities of the essential oils from flowers and fruits of Otostegia persica Boiss.,
Pakistan J. Biol. Sci., 2007, 10, 21, 3895-3899, https://doi.org/10.3923/pjbs.2007.3895.3899
. [all data]
Kawaree, Phutdhawong, et al., 2006
Kawaree, R.; Phutdhawong, W.; Picha, P.; Ngamkham, J.,
Chemical compounds, anticancer and antioxidant activities of volatile oil from Piper sarmentosum Roxb., Polyscias fruticosa Harms. and Polygonum odoratum Lour.,
KMITI Sci. J., 2006, 6, 2b, 499-504. [all data]
Eyres, Dufour, et al., 2005
Eyres, G.; Dufour, J.-P.; Hallifax, G.; Sotheeswaran, S.; Marriott, P.J.,
Identification of character-impact odorants in coriander and wild coriander leaves using gas chromatography-olfactometry (GCO) and comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC×GC-TOFMS),
J. Sep. Sci., 2005, 28, 9-10, 1061-1074, https://doi.org/10.1002/jssc.200500012
. [all data]
Iraqi, Vermeulen, et al., 2005
Iraqi, R.; Vermeulen, C.; Benzekri, A.; Bouseta, A.; Collin, S.,
Screening for key odorants in Moroccan green olives by gas chromatography-olfactometry/aroma extract dilution analysis,
J. Agric. Food Chem., 2005, 53, 4, 1179-1184, https://doi.org/10.1021/jf040349w
. [all data]
Riu-Aumatell, Lopez-Tamames, et al., 2005
Riu-Aumatell, M.; Lopez-Tamames, E.; Buxaderas, S.,
Assessment of the Volatile Composition of Juices of Apricot, Peach, and Pear According to Two Pectolytic Treatments,
J. Agric. Food Chem., 2005, 53, 20, 7837-7843, https://doi.org/10.1021/jf051397z
. [all data]
Crook, Boylston, et al., 2004
Crook, L.R.; Boylston, T.D.; Glatz, B.A.,
Effect of gas environment and sorbate addition on flavor characteristics of irradiated apple cider during storage,
J. Agric. Food Chem., 2004, 52, 23, 6997-7004, https://doi.org/10.1021/jf049454w
. [all data]
Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q.,
Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector,
J. Chongqing Univ., 2004, 27, 6, 106-109. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
David, Scanlan, et al., 2002
David, F.; Scanlan, F.; Sandra, P.; Szelewski, M.,
Analysis of essential oil compounds using retention time locked methods and retention time databases, 2002, retrieved from http://www.chem.agilent.com. [all data]
Figueiredo, Miguel, et al., 2001
Figueiredo, A.C.; Miguel, M.G.; Duarte, A.M.F.; Barroso, J.G.; Pedro, L.G.,
Essential oil composition of Thymus lotocephallus G. López R. Morales, collected during flowering and vegetative phases,
Flavour Fragr. J., 2001, 16, 6, 417-421, https://doi.org/10.1002/ffj.1028
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Son, P.T.; Giang, P.M.; Kaul, V.K.,
Constituents of the essential oil from the fruits of Zanthoxylum rhetsoides Drake from Vietnam and from the aerial parts of Zanthoxylum alatum Roxb. from India,
Flavour Fragr. J., 1999, 14, 4, 225-229, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<225::AID-FFJ818>3.0.CO;2-1
. [all data]
Ciccioli, Cecinato, et al., 1994
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Brachetti, A.; Frattoni, M.; Sparapani, R.,
Composition and Distribution of Polar and Non-Polar VOCs in Urban, Rural, Forest and Remote Areas,
Eur Commission EUR, 1994, 549-568. [all data]
Ciccioli, Brancaleoni, et al., 1993
Ciccioli, P.; Brancaleoni, E.; Cecinato, A.; Sparapani, R.; Frattoni, M.,
Identification and determination of biogenic and anthropogenic volatile organic compounds in forest areas of Northern and Southern Europe and a remote site of the Himalaya region by high-resolution gas chromatography-mass spectrometry,
J. Chromatogr., 1993, 643, 1-2, 55-69, https://doi.org/10.1016/0021-9673(93)80541-F
. [all data]
Zenkevich and Malamakhov, 1987
Zenkevich, I.G.; Malamakhov, A.C.,
Evaluation of Molecular Weights of Organic Compounds based on Retention Parameters at Chromato-Spectral Analysys. Additional Criterion of Molecular Ions' Identification,
Vestn. St. Petersb. Univ. Ser. 4: Fiz. Khim, 1987, 2, 101-106. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Fagan, Kepner, et al., 1982
Fagan, G.L.; Kepner, R.E.; Webb, A.D.,
Additional volatile components of Palomino film sherry,
Am. J. Enol. Vitic, 1982, 33, 1, 47-50. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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