1-Propanol
- Formula: C3H8O
- Molecular weight: 60.0950
- IUPAC Standard InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N
- CAS Registry Number: 71-23-8
- 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. - Other names: Propyl alcohol; n-Propan-1-ol; n-Propanol; n-Propyl alcohol; Ethylcarbinol; Optal; Osmosol extra; Propanol; Propylic alcohol; 1-Propyl alcohol; n-C3H7OH; 1-Hydroxypropane; Propanol-1; Propan-1-ol; n-Propyl alkohol; Alcool propilico; Alcool propylique; Propanole; Propanolen; Propanoli; Propylowy alkohol; UN 1274; Propylan-propyl alcohol; NSC 30300; Alcohol, propyl
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Normal alkane RI, 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 | Carbowax 20M | DB-Wax | DB-Wax | HP-Innowax | FFAP |
Column length (m) | 30. | 30. | 60. | 50. | |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.20 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | |
Program | not specified | not specified | not specified | 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) |
I | 1040. | 1036. | 1038. | 1045. | 992. |
Reference | Lee, Chong, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Xiao, Dai, et al., 2011 | Ortiz, Echeverra, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | BP-20 | DB-Wax | DB-Wax |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) | 40 0C (1 min) 2 0C/min -> 100 0C (2 min) 1.7 0C/min -> 180 0C (1 min) 25 0C/min -> 220 0C (10 min) | 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C | 40 0C (4 min) 3 0C/min -> 50 0C 5 0C/min -> 120 0C 7 0C/min -> 175 0C 10 0C/min -> 230 0C (8 min) |
I | 1030. | 1036. | 1086. | 1036. | 1036. |
Reference | Zhao, Xu, et al., 2009 | Li, Tao, et al., 2008 | Rodrigues, Caldera, et al., 2008 | Tao, Wenlai, et al., 2008 | Yongsheng, Hua, et al., 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | FFAP | DB-Wax |
Column length (m) | 30. | 30. | 30. | 50. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Program | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | 40C(3min) => 4C/min => 160C => 7C/min => 230C (8min) |
I | 1051. | 1052. | 1046. | 1036. | 1036. |
Reference | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 | Bosch-Fuste, Riu-Aumatell, et al., 2007 | Lara, Echeverría, et al., 2007 | Li, Tao, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | HP-Innowax | DB-Wax | FFAP |
Column length (m) | 50. | 30. | 60. | 60. | 50. |
Carrier gas | He | He | Nitrogen | He | He |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | 0.33 |
Program | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) |
I | 1036. | 1032. | 1035. | 1044. | 1036. |
Reference | Lopez, Villatoro, et al., 2007 | Tian, Zhang, et al., 2007 | Quijano and Pino, 2006 | Mattheis, Fan, et al., 2005 | Echeverría, Correa, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | HP-FFAP | FFAP | Cross-linked FFAP |
Column length (m) | 60. | 50. | 50. | 50. | |
Carrier gas | Helium | He | N2 | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.33 | 0.33 | 0.33 | |
Program | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) | 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) | 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min) |
I | 1038. | 1042. | 1036. | 1042. | 1042. |
Reference | Kim. J.H., Ahn, et al., 2004 | Vinogradov, 2004 | Echeverria, Fuentes, et al., 2003 | Lopez, Lavilla, et al., 2000 | Lavilla, Puy, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | FFAP | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 50. | 60. | ||
Carrier gas | He | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.2 | 0.32 | ||
Phase thickness (μm) | 1. | 0.33 | |||
Program | 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min) | 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) | not specified | not specified | not specified |
I | 1047. | 1042. | 1025. | 1027. | 1031. |
Reference | Forney and Jordan, 1998 | López, Lavilla, et al., 1998 | Peng, Yang, et al., 1991 | Peng, Yang, et al., 1991 | Binder, Flath, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | Carbowax 20M | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 20M |
Column length (m) | 50. | ||
Carrier gas | Hydrogen | ||
Substrate | |||
Column diameter (mm) | 0.32 | ||
Phase thickness (μm) | |||
Program | not specified | not specified | not specified |
I | 1002. | 1072. | 1033. |
Reference | Shibamoto, 1987 | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Lee, Chong, et al., 2012
Lee, P.-R.; Chong, I.S.-M.; Yu, B.; Curran, P.; Liu, S.-Q.,
Effect of precursors on volatile compounds in Papaya wine fermented by mixed yeasts,
Uncorrected proof, 2012, 000-000. [all data]
Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A.,
Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection,
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Discrimination of Chinese vinegars based on headspace solid-phase microextraction - gas chromatography mass spectrometry of volatile compounds and multivariate analysis,
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Ortiz, Echeverra, et al., 2009
Ortiz, A.; Echeverra, G.; Graell, J.; Lara, I.,
Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
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Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
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Impact odorants of Chardonnay dry white wine from Changli Counti (China),
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Rodrigues, Caldera, et al., 2008
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development of a dynamic headspace solid-phase microextraction procedure coupled to GC-qMSD for evaluation the chemical profile in alcoholic beverages,
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Tao, Wenlai, et al., 2008
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Characterization of volatile and semi-volatile compounds in Chinese rica wines by headspace solid phase microextraction followed by gas chromatography - mass spectrometry,
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Yongsheng, Hua, et al., 2008
Yongsheng, T.; Hua, L.; Hua, W.; Li, Z.,
Volatile composition of young Cabernet Savignon red wine from Changli Counti (China),
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Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M.,
Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese,
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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,
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Lara, Echeverría, et al., 2007
Lara, I.; Echeverría, G.; Graell, J.; López, M.L.,
Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities,
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Li, Tao, et al., 2007
Li, H.; Tao, Y.-S.; Wang, H.; Zhang, L.,
Impact odorants of Chardonnay dry white wine from Changli County (China),
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Lopez, Villatoro, et al., 2007
Lopez, M.L.; Villatoro, C.; Fuentes, T.; Graell, J.; Lara, I.; Echeverria, G.,
Volatile compounds, quality parameters and consumer acceptance of 'Pink Lady®' apples stored in different conditions,
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Tian, Zhang, et al., 2007
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Research advances on the essential oils from leaves of Eucalyptus,
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Quijano and Pino, 2006
Quijano, C.E.; Pino, J.A.,
Changes in volatile constituents during the ripening of cocona (Solanum sessiliflorum Dunal) fruit,
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Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C.,
Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action,
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Echeverría, Correa, et al., 2004
Echeverría, G.; Correa, E.; Ruiz-Altisent, M.; Graell, J.; Puy, J.; López, L.,
Characterization of Fuji apples from different harvest dates and storage conditions from measurements of volatiles by gas chromatography and electronic nose,
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Kim. J.H., Ahn, et al., 2004
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Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
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Echeverria, Fuentes, et al., 2003
Echeverria, G.; Fuentes, M.T.; Graell, J.; Lopez, M.L.,
Relationships between volatile production, fruit quality and sensory evaluation of Fuji apples stored in different atmospheres by means of multivariate analysis,
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Lopez, Lavilla, et al., 2000
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Forney, C.F.; Jordan, M.A.,
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López, Lavilla, et al., 1998
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Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples,
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Peng, C.T.; Yang, Z.C.; Ding, S.F.,
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Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
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Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
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Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
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Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
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Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
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