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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Van Den Dool and Kratz RI, polar column, temperature ramp
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 | Innowax | HP-Innowax | ZB-Wax | DB-Wax Etr |
Column length (m) | 30. | 30. | 60. | 30. | 30. |
Carrier gas | He | H2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 50. | 45. | 50. | 40. | 40. |
Tend (C) | 180. | 210. | 220. | 250. | 250. |
Heat rate (K/min) | 3.5 | 3.5 | 4. | 5. | 5. |
Initial hold (min) | 2. | 5. | 4. | 2. | 3. |
Final hold (min) | 25. | 20. | 10. | 5. | 15. |
I | 1086. | 1108. | 1097. | 1094. | 1093. |
Reference | Botelho, Caldeira, et al., 2007 | Botelho, Caldeira, et al., 2007 | Quijano, Linares, et al., 2007 | Wu, Zorn, et al., 2007 | Aubert C. and Pitrat M., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Innowax | CP-Wax 52CB | DB-Wax |
Column length (m) | 60. | 30. | 60. | 50. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 40. | 60. | 50. |
Tend (C) | 265. | 265. | 230. | 220. | 220. |
Heat rate (K/min) | 7. | 7. | 4. | 4. | 4. |
Initial hold (min) | 4. | 5. | 4. | ||
Final hold (min) | 5. | 5. | 20. | 30. | 20. |
I | 1093. | 1098. | 1085. | 1090. | 1090. |
Reference | Gurbuz O., Rouseff J.M., et al., 2006 | Gurbuz O., Rouseff J.M., et al., 2006 | Lee, Lee, et al., 2006 | Mahadevan and Farmer, 2006 | Osorio, Alarcon, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52CB | OV-351 | Supelcowax-10 | Stabilwax |
Column length (m) | 30. | 60. | 50. | 60. | 30. |
Carrier gas | He | He | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.2 | 0.25 | 1. |
Tstart (C) | 40. | 35. | 60. | 40. | 40. |
Tend (C) | 200. | 203. | 220. | 280. | 230. |
Heat rate (K/min) | 5. | 3. | 5. | 4. | 4. |
Initial hold (min) | 3. | 4. | 2. | 2. | |
Final hold (min) | 8. | 10. | |||
I | 1112. | 1085. | 1056. | 1104. | 1097. |
Reference | Petka, Ferreira, et al., 2006 | Alasalvar, Taylor, et al., 2005 | Bonvehí, 2005 | Elmore, Nisyrios, et al., 2005 | Fang and Qian, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | ZB-Wax | DB-Wax | ZB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.15 |
Tstart (C) | 45. | 60. | 40. | 40. | 35. |
Tend (C) | 250. | 240. | 250. | 250. | 220. |
Heat rate (K/min) | 5. | 3. | 5. | 3. | 1.8 |
Initial hold (min) | 1. | 5. | 2. | 3. | 10. |
Final hold (min) | 12. | 10. | 5. | 20. | 10. |
I | 1114. | 1043. | 1085. | 1093. | 1089. |
Reference | Malliaa, Fernandez-Garcia, et al., 2005 | Riu-Aumatell, Lopez-Tamames, et al., 2005 | Wu, Zorn, et al., 2005 | Aubert and Bourger, 2004 | Ledauphin, Saint-Clair, 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 | AT-Wax | Supelcowax-10 | AT-Wax |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.5 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 65. | 35. | 65. |
Tend (C) | 240. | 250. | 250. | 195. | 250. |
Heat rate (K/min) | 6. | 5. | 2. | 2. | 2. |
Initial hold (min) | 10. | 10. | 10. | 5. | 10. |
Final hold (min) | 25. | 10. | 60. | 90. | 60. |
I | 1078. | 1103.4 | 1065. | 1092. | 1064. |
Reference | Varming, Andersen, et al., 2004 | Censullo, Jones, et al., 2003 | Pino, Almora, et al., 2003 | Chung, Yung, et al., 2002 | Pino, Marbot, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | CP-Wax 52CB | AT-Wax | DB-FFAP | Supelcowax-10 |
Column length (m) | 60. | 50. | 60. | 30. | 60. |
Carrier gas | He | H2 | He | H2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 35. | 50. | 65. | 40. | 35. |
Tend (C) | 195. | 200. | 250. | 240. | 195. |
Heat rate (K/min) | 2. | 2. | 2. | 5. | 2. |
Initial hold (min) | 5. | 10. | 2. | ||
Final hold (min) | 90. | 60. | 90. | ||
I | 1092. | 1077. | 1064. | 1078. | 1094. |
Reference | Chung, Yung, et al., 2001 | Liu, Yang, et al., 2001 | Pino, Marbot, et al., 2001 | Charles, Martin, et al., 2000 | Chung, 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52CB | Supelcowax-10 | Supelcowax-10 | DB-Wax | DB-Wax |
Column length (m) | 50. | 60. | 60. | 30. | 60. |
Carrier gas | He | He | He | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.5 | 0.25 |
Tstart (C) | 30. | 35. | 35. | 67. | 40. |
Tend (C) | 220. | 195. | 195. | 240. | 200. |
Heat rate (K/min) | 2. | 2. | 2. | 5. | 3. |
Initial hold (min) | 1.3 | 5. | 5. | 5. | |
Final hold (min) | 90. | 90. | 60. | ||
I | 1077. | 1094. | 1094. | 1107. | 1098. |
Reference | Jensen, Christensen, et al., 2000 | Chung, 1999 | Chung, 1999, 2 | Escudero and Etiévant, 1999 | Cha, Kim, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | FFAP | DB-Wax | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.425 | 0.25 | 0.25 |
Tstart (C) | 20. | 50. | 45. | 50. | 50. |
Tend (C) | 200. | 230. | 300. | 230. | 230. |
Heat rate (K/min) | 4. | 3. | 3. | 2. | 2. |
Initial hold (min) | 1. | 3. | |||
Final hold (min) | 1. | 20. | 60. | ||
I | 1121. | 1110. | 1075. | 1083. | 1095. |
Reference | Ott, Fay, et al., 1997 | Shimoda, Peralta, et al., 1996 | Mondello, Dugo, et al., 1995 | Shimoda, Shigematsu, et al., 1995 | Shiratsuchi, Shimoda, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 30. | 30. | 25. | 25. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.31 | 0.31 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 40. | 40. | 50. | 50. | 50. |
Tend (C) | 200. | 200. | 220. | 200. | 200. |
Heat rate (K/min) | 3. | 2. | 4. | 2. | 2. |
Initial hold (min) | 5. | 10. | 3. | ||
Final hold (min) | 20. | ||||
I | 1093. | 1090. | 1085. | 1068. | 1078. |
Reference | Sumitani, Suekane, et al., 1994 | Umano, Hagi, et al., 1992 | Humpf and Schreier, 1991 | Suárez and Duque, 1991 | Suárez and Duque, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | OV-351 |
Column length (m) | 30. | 30. | 30. | 30. | 25. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 40. | 50. | 50. | 40. | 50. |
Tend (C) | 220. | 250. | 250. | 240. | |
Heat rate (K/min) | 5. | 4. | 4. | 4. | 6. |
Initial hold (min) | 3. | 3. | 3. | 3. | |
Final hold (min) | |||||
I | 1083. | 1081. | 1083. | 1083. | 1079. |
Reference | Frohlich and Schreier, 1990 | Fröhlich, Duque, et al., 1989 | Fröhlich, Duque, et al., 1989 | Schwab, Mahr, et al., 1989 | Korhonen, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed |
---|---|---|
Active phase | Carbowax 20M | Carbowax 20M |
Column length (m) | ||
Carrier gas | He | |
Substrate | Celite 545 | |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Tstart (C) | 50. | 75. |
Tend (C) | 160. | 228. |
Heat rate (K/min) | 1. | 4.6 |
Initial hold (min) | 10. | |
Final hold (min) | ||
I | 1068. | 1067. |
Reference | Chen, Kuo, et al., 1982 | van den Dool and Kratz, 1963 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Botelho, Caldeira, et al., 2007
Botelho, G.; Caldeira, I.; Mendes-Faia, A.; Clímaco, M.C.,
Evaluation of two quantitative gas chromatography-olfactometry methods for clonal red wines differentiation,
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Wu, Zorn, et al., 2007
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Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
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Volatile compounds in the skin and pulp of Queen Anne's pocket melon,
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Ledauphin, Saint-Clair, et al., 2004
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Charles, Martin, et al., 2000
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Chung, 2000
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Volatile flavor components in red fermented soybean (Glycine max) curds,
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Jensen, Christensen, et al., 2000
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Chung, 1999
Chung, H.Y.,
Volatile components in crabmeats of Charybdis feriatus,
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Chung, 1999, 2
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
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Escudero and Etiévant, 1999
Escudero, A.; Etiévant, P.,
Effect of antioxidants on the flavor characteristics and the gas chromatography/olfactometry profiles of champagne extracts,
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Cha, Kim, et al., 1998
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Aroma-active compounds in Kimchi during fermentation,
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Determination and origin of the aroma impact compounds of yogurt flavor,
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Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, temperature ramp, References
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