1-Pentanol, 4-methyl-
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: PCWGTDULNUVNBN-UHFFFAOYSA-N
- CAS Registry Number: 626-89-1
- 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: Isohexyl alcohol; Isohexanol; 2-Methyl-5-pentanol; 4-Methyl-1-pentanol; 4-Methylpentan-1-ol; 4-Methylpentanol; Pentanol, 4-methyl-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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IR Spectrum
Go To: Top, Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Chromatography
Go To: Top, IR Spectrum, 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | OV-101 | 80. | 851. | Boneva, 1987 | N2; Column length: 100. m; Column diameter: 0.27 mm |
Capillary | OV-101 | 90. | 852.6 | Boneva, 1987 | N2; Column length: 100. m; Column diameter: 0.27 mm |
Packed | SE-30 | 100. | 827. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Packed | SE-30 | 120. | 823. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Packed | SE-30 | 140. | 821. | Pías and Gascó, 1975 | Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 875. | Mevy, Bessiere, et al., 2006 | 25. m/0.2 mm/0.15 μm, He, 60. C @ 3. min, 3. K/min; Tend: 220. C |
Capillary | OV-101 | 839. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 840. | Ohnishi and Shibamoto, 1984 | 2. K/min; Column length: 50. m; Column diameter: 0.23 mm; Tstart: 80. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 866. | Brander, Kepner, et al., 1980 | Column length: 80. m; Column diameter: 0.29 mm; Program: not specified |
Capillary | SE-30 | 868. | Brander, Kepner, et al., 1980 | Column length: 80. m; Column diameter: 0.29 mm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 80. | 1338. | Boneva, 1987 | N2; Column length: 50. m; Column diameter: 0.23 mm |
Capillary | Carbowax 20M | 90. | 1338. | Boneva, 1987 | N2; Column length: 50. m; Column diameter: 0.23 mm |
Packed | Carbowax 20M | 100. | 1300. | Kevei and Kozma, 1976 | Chromosorb |
Kovats' RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1318. | Brander, Kepner, et al., 1980 | Program: not specified |
Capillary | Carbowax 20M | 1320. | Brander, Kepner, et al., 1980 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1299. | Verzera, Campisi, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
Capillary | ZB-Wax | 1312. | Ledauphin, Saint-Clair, et al., 2004 | 30. m/0.25 mm/0.15 μm, He, 35. C @ 10. min, 1.8 K/min, 220. C @ 10. min |
Capillary | CP-Wax 52CB | 1299. | Verzera, Campisi, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; Tend: 250. C |
Capillary | DB-Wax | 1311. | Cha, Kim, et al., 1998 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 3. K/min, 200. C @ 60. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1301. | Selli, Canbas, et al., 2006 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
Capillary | DB-Wax | 1301. | Selli, Canbas, et al., 2006, 2 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) |
Capillary | DB-Wax | 1302. | Ferrari, Lablanquie, et al., 2004 | 60. m/0.25 mm/0.25 μm, He; Program: 35C(0.7min) => 20C/min => 70C => 4C/min => 240C |
Capillary | DB-Wax | 1301. | Selli, Cabaroglu, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2; Program: 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
Capillary | Carbowax 20M | 1328. | Boido, Lloret, et al., 2003 | 25. m/0.32 mm/0.25 μm, H2; Program: 40C (8min) => 3C/min => 180C => 20C/min => 230C |
Capillary | DB-Wax | 1347. | Radovic, Careri, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | FFAP | 1310. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 100. | 827. | Zhou and Wu, 2007 | Column length: 1. m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 836. | Srisajjalerwaja, Apichartsrangkoon, et al., 2012 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min; Tend: 250. C |
Capillary | HP-5 MS | 838. | Forero, Quijano, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min |
Capillary | Elite-5MS | 838. | Tava, Pecetti, et al., 2007 | 30. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 280. C @ 10. min |
Capillary | DB-5 | 860. | Shen X., Gao Y., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min |
Capillary | DB-1 | 839. | Tohar, Mohd, et al., 2006 | 30. m/0.32 mm/0.25 μm, 60. C @ 3. min, 3. K/min, 230. C @ 10. min |
Capillary | HP-5 | 846.2 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | OV-101 | 838. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 847. | Rotsatschakul, Visesanguan, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min) |
Capillary | HP-5 | 851. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min) |
Capillary | HP-5 | 866. | Zhao, Li, et al., 2008 | 30. m/0.25 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 838. | Bosch-Fuste, Riu-Aumatell, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) |
Capillary | DB-5 MS | 837. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
Capillary | Methyl Silicone | 827. | Chen and Feng, 2007 | Program: not specified |
Capillary | Methyl Silicone | 821. | Feng and Mu, 2007 | Program: not specified |
Capillary | Methyl Silicone | 827. | Kou, Zhang, et al., 2006 | Program: not specified |
Capillary | HP-5MS | 845. | Alissandrakis, Kibaris, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min) |
Capillary | Methyl Silicone | 827. | Fu and Wang, 2004 | Program: not specified |
Capillary | SE-30 | 838. | Vinogradov, 2004 | Program: not specified |
Capillary | Polydimethyl siloxane | 821. | Junkes, Castanho, et al., 2003 | Program: not specified |
Capillary | HP-5MS | 833. | Ansorena, Gimeno, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 40C (10min) => 3C/min => 120C => 10C/min => 250C (5min) |
Capillary | Methyl Silicone | 821. | Estrada and Gutierrez, 1999 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-Wax MS | 1309. | Duarte, Dias, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 60. C @ 5. min, 3. K/min, 220. C @ 25. min |
Capillary | CP Wax 52 CB | 1319. | Birtic, Ginies, et al., 2009 | 30. m/0.32 mm/0.50 μm, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 15. min |
Capillary | DB-Wax | 1314. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 3. K/min, 230. C @ 5. min |
Capillary | DB-Wax | 1317. | Dregus and Engel, 2003 | 60. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 4. K/min, 230. C @ 25. min |
Capillary | DB-Wax | 1316. | Umano, Nakahara, et al., 1999 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Capillary | DB-Wax | 1324. | Wada and Shibamoto, 1997 | He, 3. K/min, 200. C @ 40. min; Column length: 60. m; Column diameter: 0.25 mm; Tstart: 50. C |
Capillary | Carbowax 20M | 1298. | Kawakami and Kobayashi, 1991 | He, 60. C @ 4. min, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tend: 180. C |
Capillary | Carbowax 20M | 1282. | Anker, Jurs, et al., 1990 | 2. K/min; Column length: 80. m; Column diameter: 0.2 mm; Tstart: 70. C; Tend: 170. C |
Capillary | Supelcowax-10 | 1328. | Loughrin, Hamilton-Kemp, et al., 1990 | He, 60. C @ 1. min, 2. K/min; Column length: 60. m; Column diameter: 0.32 mm; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelco CO Wax-10 | 1325. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (6 min) 2 0C/min -> 60 0C (5 min) 5 0C/min -> 200 0C 25 0C/min -> 250 0C (6 min) |
Capillary | Supelco CO Wax-10 | 1322. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelco CO Wax-10 | 1329. | Prompona, Kandylis, et al., 2012 | 60. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1318. | Sampaio, Garruti, et al., 2011 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) |
Capillary | DB-Wax | 1312. | Zhao, Xu, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 1330. | Yongsheng, Hua, et al., 2008 | 30. m/0.32 mm/0.25 μm, Helium; Program: 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) |
Capillary | Supelcowax-10 | 1317. | Bosch-Fuste, Riu-Aumatell, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 2C/min => 200C(1min) => 2C/min => 250C (10min) |
Capillary | DB-Wax | 1316. | Tian, Zhang, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min) |
Capillary | Carbowax 20M | 1299. | Editorial paper, 2005 | Program: not specified |
Capillary | Carbowax 20M | 1316. | Editorial paper, 2005 | Program: not specified |
Capillary | DB-Wax | 1301. | Selli, Cabaroglu, et al., 2003 | 30. m/0.32 mm/0.5 μm, He; Program: 60C(2min) => 2C/min => 220C => 3C/min => 245C(20min) |
Capillary | Nukol | 1298. | López and Dufour, 2001 | N2; Column length: 25. m; Column diameter: 0.25 mm; Program: 45C(5min) => 20C/min => 100C(1min) => 3C/min => 190C(40min) |
Capillary | DB-Wax | 1284. | Miranda, Nogueira, et al., 2001 | 30. m/0.25 mm/0.25 μm, He; Program: 25 0C (0.5 min) 50 K/min -> 50 0C 3.5 K/min -> 150 0C 7.5 K/min -> 240 0C |
Capillary | DB-Wax | 1297. | Caldentey, Daria Fumi, et al., 1998 | 30. m/0.25 mm/0.25 μm, He; Program: 25C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C |
Capillary | DB-Wax | 1333. | Marlatt, Ho, et al., 1992 | 30. m/0.25 mm/0.25 μm; Program: not specified |
References
Go To: Top, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Gas Chromatographic Retention Indices for C6 Alkanols on OV-101 and Carbowax 20M Capillary Columns,
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Volatile compounds from heated beef fat and beef fat with glycine,
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Notes
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