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, 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 | HP-5 | DB-5 | HP-5 | HP-5 | DB-5 MS |
Column length (m) | 30. | 30. | 50. | 30. | 30. |
Carrier gas | Helium | Hydrogen | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.50 | 1.05 | 0.25 | 0.25 |
Program | 30 0C (1 min) 2 0C/min -> 100 0C (5 min) 5 0C/min -> 170 0C | 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min) | 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) | not specified | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
I | 614. | 621. | 614. | 618. | 625. |
Reference | Fang, Pu, et al., 2012 | San-Juan, Petka, et al., 2010 | Ventanas, Estevez, et al., 2008 | Zhao, Li, et al., 2008 | Cajka, Hajslova, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | VB-5 | HP-5 | Methyl Silicone | BPX-5 |
Column length (m) | 60. | 60. | |||
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 1. | 0.25 | |||
Program | not specified | 35C(1min) => 4C/min => 175C => 10C/min => 260C | 50C => 3C/min => 200C(10min) => 10C/min => 290C(10min) | not specified | 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
I | 612. | 617. | 617. | 612. | 629. |
Reference | Chen and Feng, 2007 | Karlshøj, Nielsen, et al., 2007 | Splivallo, Bossi, et al., 2007 | Kou, Zhang, et al., 2006 | Duflos, Moine, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Polydimethyl siloxane with 5 % Ph groups | HP-5 | Methyl Silicone | HP-5 | DB-5 |
Column length (m) | 60. | 50. | 50. | ||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | ||
Phase thickness (μm) | 1. | 1.05 | 1.05 | ||
Program | not specified | not specified | not specified | 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) | 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
I | 622. | 622. | 612. | 622. | 622. |
Reference | Pino, Marbot, et al., 2005 | Thierry, Maillard, et al., 2005 | Fu and Wang, 2004 | Garcia-Estaban, Ansorena, et al., 2004 | Garcia-Estaban, Ansorena, et al., 2004, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SPB-5 | HP-5 | HP-5 | Polydimethyl siloxane |
Column length (m) | 60. | 30. | 30. | ||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | ||
Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
Program | not specified | not specified | 40C(6min) => 2.5C/min => 150C => 90C/min => 250C | not specified | not specified |
I | 616. | 623. | 619. | 619. | 621. |
Reference | Vinogradov, 2004 | Begnaud, Pérès, et al., 2003 | Jordán, Margaría, et al., 2003 | Jordán, Goodner, et al., 2002 | Spanier, Shahidi, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | SPB-1 | DB-5 | SE-54 | DB-5 |
Column length (m) | 50. | 60. | 30. | 30. | 50. |
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.53 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.52 | 5. | 0.25 | 0.25 | 0.25 |
Program | 40C => 2C/min => 130C => 4C/min => 250C | 40C(6min) => 5C/min => 80C => 10C/min => 200C | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 35C (1min) => 40C/min => 60C (1min) => 6C/min => 250C (10min) | 40C (10min) => 3C/min => 95C => 10C/min => 270C (10min) |
I | 623. | 614. | 647. | 647. | 635. |
Reference | Teai, Claude-Lafontaine, et al., 2001 | Flanagan, Streete, et al., 1997 | Guth, 1997 | Guth, 1997 | Mateo and Zumalacárregui, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | DB-1 | DB-1 | SPB-1 | SPB-1 |
Column length (m) | 60. | 60. | 60. | 60. | |
Carrier gas | Helium | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.53 | 0.53 | |
Phase thickness (μm) | 0.25 | 0.25 | 5.0 | 5.0 | |
Program | not specified | not specified | 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min | 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C | not specified |
I | 625. | 619. | 619. | 614. | 619. |
Reference | Zenkevich, Korolenko, et al., 1995 | Ciccioli, Cecinato, et al., 1994 | Ciccioli, Brancaleoni, et al., 1993 | Strete, Ruprah, et al., 1992 | Strete, Ruprah, et al., 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | CP Sil 8 CB | DB-1 | DB-1 | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. |
Column length (m) | 60. | 40. | 30. | 30. | 50. |
Carrier gas | He | H2 | H2 | Hydrogen | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | not specified | 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | 30C (2min) => 2C/min => 150C => 4C/min => 250C | not specified |
I | 608. | 624. | 608. | 617. | 601. |
Reference | Binder, Flath, et al., 1989 | Weller and Wolf, 1989 | Takeoka, Flath, et al., 1988 | Takeoka, Flath, et al., 1988 | Waggott and Davies, 1984 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | OV-1 | SE-30 |
Column length (m) | 50. | 50. | |
Carrier gas | Hydrogen | He | |
Substrate | |||
Column diameter (mm) | 0.32 | 0.5 | |
Phase thickness (μm) | |||
Program | not specified | not specified | -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
I | 614. | 619. | 620. |
Reference | Waggott and Davies, 1984 | Ramsey and Flanagan, 1982 | Heydanek and McGorrin, 1981 |
Comment | 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.
Fang, Pu, et al., 2012
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A box-behnken design for characterizing Chineser truffles (Tuber indicum) aroma by HS-SPME-GC-MS,
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Analysis of volatile compounds of Iberian dry-cured loins with different intramuscular fat contents using SPME-DED,
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EXtraction, preparation and identification of volatile compounds in Changyu XO brandy,
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Prediction of Penicillium expansum Spoilage and Patulin Concentration in Apples Used for Apple Juice Production by Electronic Nose Analysis,
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Discrimination of truffle fruiting body versus mycelial aromas by stir bar sorptive extraction,
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Stidy on the relationships between structures and gas chromatographic retention indices of alcohols,
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Determination of volatile compounds in whiting (Merlangius merlangus) using headspace-solid-phase microextraction-gas chromatography-mass spectrometry,
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Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
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Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector,
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Comparison of simultaneous distillation extraction (SDE) and solid-phase microextraction (SPME) for the analysis of volatile compounds in dry-cured ham,
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Study of the effect of different fiber coatings and extraction conditions on dry cured ham volatile compounds extracted by solid-phase microextraction (SPME),
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Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
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