1-Propanol, 2-methyl-
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
- CAS Registry Number: 78-83-1
- 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. - Other names: Isobutyl alcohol; Isobutanol; Isopropylcarbinol; 2-Methyl-1-propanol; iso-C4H9OH; Fermentation butyl alcohol; 1-Hydroxymethylpropane; 2-Methylpropanol; 2-Methylpropan-1-ol; 2-Methylpropanol-1; 2-Methylpropyl alcohol; Butanol-iso; Alcool isobutylique; Isobutylalkohol; Rcra waste number U140; UN 1212; i-Butyl alcohol; Isopropyl carbitol; Propanol, 2-methyl-; 2-methyl-1-propanyl alcohol; i-Butanol; Methyl-2 propanol-1; NSC 5708; 2-methylpropanoI
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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 | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | |
Carrier gas | Helium | Helium | Helium | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | not specified | not specified | not specified | 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) |
I | 1090. | 1092. | 1090. | 1098. | 1096. |
Reference | Gyawali and Kim, 2012 | Lee, Chong, et al., 2012 | Welke, Manfroi, et al., 2012 | Welke, Manfroi, et al., 2012 | Sampaio, Garruti, et al., 2011 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 60. |
Carrier gas | Helium | Helium | Hydrogen | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 1.0 | 0.50 | 0.50 | 0.25 |
Program | 40 0C (2 min) 3 0C/min -> 150 0C 5 0C/min -> 220 0C (5 min) | 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (40 min) | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) |
I | 1099. | 1119. | 1099. | 1099. | 1093. |
Reference | Xiao, Dai, et al., 2011 | Kadar, Juan-Borras, et al., 2010 | San-Juan, Petka, et al., 2010 | Ferreira, Juan, et al., 2009 | Gyawali and Kim, 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 50. | 20. | 50. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.18 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.33 | 0.18 | 0.25 | 0.25 | 0.25 |
Program | 70 0C (1 min) 3 0C/min -> 142 0C 5 0C/min -> 225 0C (10 min) | 35 0C (1 min) 2/9 0C/min -> 100 0C 8 0C/min -> 200 0C (5 min) | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | not specified | 40 0C (3 min) 4 0C/min -> 160 0C 7 0C/min -> 220 0C (8 min) |
I | 1054. | 1087. | 1113. | 1089. | 1108. |
Reference | Ortiz, Echeverra, et al., 2009 | Rowan, Hunt, et al., 2009 | Soria, Martinez-Castro, et al., 2009 | Zhao, Xu, et al., 2009 | Li, Tao, 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 | DB-Wax | DB-Wax | PEG 20M |
Column length (m) | 50. | 50. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) | 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 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) | 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C |
I | 1113. | 1113. | 1106. | 1108. | 1129. |
Reference | Soria, Martinez-Castro, et al., 2008 | Soria, Martinez-Castro, et al., 2008 | Tao, Wenlai, et al., 2008 | Yongsheng, Hua, et al., 2008 | Zhang, Zhang, 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 | 1097. | 1107. | 1108. | 1091. | 1108. |
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 | DB-Wax | HP-Innowax | PEG-20M |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | Hydrogen | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.50 | 0.25 | 0.5 | 0.25 |
Program | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 60 0C (3 min) 2 0C/min -> 220 0C 3 0C/min -> 245 0C (20 min) | 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) | 30C(2min) => 4C/min => 130C => 8C/min => 250C(5min) | 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min) |
I | 1091. | 1086. | 1091. | 1072. | 1129. |
Reference | Lopez, Villatoro, et al., 2007 | Selli, 2007 | Tian, Zhang, et al., 2007 | Weldegergis B.T., Tredoux A.G.J., et al., 2007 | Zhang C., Zhang H., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | FFAP | Innowax | Carbowax 20M | HP-FFAP |
Column length (m) | 60. | 50. | 60. | 50. | |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.25 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.33 | |
Program | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | 70C(1min) => 3C/min => 142C => 5C/min => 225C(10min) | 50C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified | 70C(1min) => 3C/min => 142C => 5C/min => 225C (10min) |
I | 1093. | 1091. | 1096. | 1054. | 1091. |
Reference | Mattheis, Fan, et al., 2005 | Echeverría, Correa, et al., 2004 | Selli, Kürkçüoglu, et al., 2004 | Vinogradov, 2004 | Echeverria, Fuentes, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | FFAP | FFAP | FFAP | CP-Wax 52CB |
Column length (m) | 30. | 30. | 30. | 30. | 30. |
Carrier gas | He | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) | 50 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 180 0C (10 min) | 50 0C (2 min) 6 0C/min -> 180 0C 10 0C/min -> 180 0C (10 min) | 50 0C (2 min) 6 oC/min -> 180 0C 10 0C/min -> 240 0C (10 min) | 50C(5min) => 7C/min => 180C => 10C/min => 240C(10min) |
I | 1085. | 1084. | 1085. | 1084. | 1089. |
Reference | Selli, Cabaroglu, et al., 2003 | Bel Rhild, Fleury, et al., 2002 | Bel Rhild, Fleury, et al., 2002 | Bel Rhild, Fleury, et al., 2002, 2 | Escalona, Birkmyre, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TRWAX | CP-Wax 52CB | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | not specified | 50C(5min) => 7C/min => 180C => 10C/min => 240C(10min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) | 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C |
I | 1108. | 1091. | 1083. | 1091. | 1098. |
Reference | Torrens, 2002 | Escalona, Birkmyre, et al., 2001 | Mayorga, Knapp, et al., 2001 | Mayorga, Knapp, et al., 2001 | Miranda, Nogueira, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | FFAP | Cross-linked FFAP | FFAP | PEG |
Column length (m) | 50. | 50. | 50. | 50. | 40. |
Carrier gas | N2 | N2 | N2 | N2 | Hydrogen |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.2 | 0.2 | 0.2 | 0.182 |
Phase thickness (μm) | 0.2 | 0.33 | 0.33 | 0.33 | 0.30 |
Program | 60C => 2C/min => 150C => 4C/min => 220C | 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) | 70C(1min) => 3C/min => 142C (2min) => 25C/min => 230C(5min) | 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) | 35 0C (5 min) 5 0C/min -> 100 0C 3 0C/min -> 200 0C (1 min) 20 0C/min -> 240 0C (2 min) |
I | 1094. | 1095. | 1095. | 1095. | 1114. |
Reference | Teai, Claude-Lafontaine, et al., 2001 | Lopez, Lavilla, et al., 2000 | Lavilla, Puy, et al., 1999 | López, Lavilla, et al., 1998 | Vas, Gal, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-FFAP | DB-FFAP | Supelcowax-10 | Polyethylene Glycol | DB-Wax |
Column length (m) | 30. | 30. | 30. | ||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 50C(2min) => 7C/min => 140C => 17.5C/min => 230C | not specified | not specified |
I | 1110. | 1110. | 1054. | 1090. | 1092. |
Reference | Guth, 1997 | Guth, 1997 | Chang, Seitz, et al., 1995 | Zenkevich, Korolenko, et al., 1995 | Peng, Yang, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-Wax | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | Carbowax 20M |
Column length (m) | 60. | 50. | 50. | |
Carrier gas | Hydrogen | Hydrogen | ||
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
Phase thickness (μm) | ||||
Program | not specified | not specified | not specified | not specified |
I | 1084. | 1089. | 1122. | 1076. |
Reference | Binder, Flath, et al., 1989 | Waggott and Davies, 1984 | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 |
Comment | MSDC-RI | 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.
Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
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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,
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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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Sampaio, Garruti, et al., 2011
Sampaio, K.S.; Garruti, D.S.; Franco, M.R.B.; Janzantti, N.S.; Da Silva, M.A.AP.,
Aroma volatiles recovered in the water phase of cashew apple (Anacardium occidentale L.) juice during concentration,
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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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Producing headspace extracts for the gas chromatography - olphactometric evaluation of wine aroma,
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Calcium dips enhance volatile emission of cold-stored Fuji Kiki-8 apples,
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Volatile constituents of orange obtained from moro oranges (Citrus Sinensis L. Osbeck),
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Weldegergis B.T., Tredoux A.G.J., et al., 2007
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Bel Rhild, Fleury, et al., 2002, 2
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Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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