1-Butanol, 3-methyl-
- Formula: C5H12O
- Molecular weight: 88.1482
- IUPAC Standard InChIKey: PHTQWCKDNZKARW-UHFFFAOYSA-N
- CAS Registry Number: 123-51-3
- 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: Isopentyl alcohol; Fermentation amyl alcohol; Fusel Oil; Isoamyl alcohol; Isoamylol; Isobutyl carbinol; Isopentanol; 2-Methyl-4-butanol; 3-Methyl-1-butanol; 3-Methylbutanol; Alcool amilico; Alcool isoamylique; Amylowy alkohol; iso-amylalkohol; 3-Methylbutan-1-ol; 3-Metil-butanolo; Isoamyl alcohol, primary; Butanol, 3-methyl-; Butan-1-ol, 3-methyl; i-Amyl alcohol; Isopentan-1-ol; Methyl-3-butan-1-ol; NSC 1029; UN 1105; 3-methylbutanoI; Isoamyl alcohol (3-methyl butanol)
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Van Den Dool and Kratz RI, non-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 | SPB-5 | DB-5 | DB-5 | CP Sil 5 CB | DB-1 |
Column length (m) | 60. | 30. | 30. | 25. | 25. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 1. | 0.25 | 1. | 0.4 | 0.33 |
Tstart (C) | 40. | 40. | 50. | 60. | 50. |
Tend (C) | 230. | 240. | 290. | 260. | 300. |
Heat rate (K/min) | 3. | 6. | 10. | 5. | 4. |
Initial hold (min) | 2. | 2. | 1. | ||
Final hold (min) | 10. | 10. | 10. | 20. | |
I | 734. | 732. | 727. | 706. | 718. |
Reference | Engel and Ratel, 2007 | Steinhaus and Schieberle, 2007 | Bylaite and Meyer, 2006 | Kafkas, Cabaroglu, et al., 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 | RTX-5 | 5 % Phenyl methyl siloxane | HP-5MS | CP-Sil 8CB-MS | SPB-5 |
Column length (m) | 30. | 30. | 30. | 60. | 30. |
Carrier gas | N2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 40. | 60. |
Tend (C) | 300. | 250. | 250. | 280. | 250. |
Heat rate (K/min) | 5. | 7. | 4. | 4. | 4. |
Initial hold (min) | 2. | 10. | 2. | 2. | 2. |
Final hold (min) | 10. | 5. | 20. | 5. | 20. |
I | 738.2 | 756. | 734. | 740. | 736. |
Reference | Ádámová, Orinák, et al., 2005 | Estevez, Ventanas, et al., 2005 | Pino, Mesa, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Píno, Marbot, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | SPB-5 | HP-5 | CP-Sil 8CB-MS | HP-1 |
Column length (m) | 30. | 30. | 30. | 60. | 50. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
Phase thickness (μm) | 0.25 | 0.25 | 0.1 | 0.25 | 0.33 |
Tstart (C) | 60. | 60. | -30. | 40. | 60. |
Tend (C) | 250. | 250. | 250. | 280. | 250. |
Heat rate (K/min) | 4. | 4. | 10. | 4. | 2. |
Initial hold (min) | 2. | 2. | 1. | 2. | 5. |
Final hold (min) | 20. | 20. | 5. | 5. | 20. |
I | 736. | 736. | 730. | 754. | 719. |
Reference | Pino, Marbot, et al., 2004 | Pino, Marbot, et al., 2004, 2 | Siegmund and Murkovic, 2004 | Bruna, Hierro, et al., 2003 | Cavalli, Fernandez, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-1 | HP-5 | CP Sil 5 CB | SPB-5 | CP Sil 8 CB |
Column length (m) | 50. | 30. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.33 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 25. | 60. | 60. | 40. |
Tend (C) | 250. | 150. | 280. | 250. | 250. |
Heat rate (K/min) | 2. | 3. | 3. | 4. | 4. |
Initial hold (min) | 5. | 5. | 10. | 2. | 8. |
Final hold (min) | 20. | 60. | 20. | 10. | |
I | 708. | 731. | 700. | 736. | 740. |
Reference | Cavalli, Fernandez, et al., 2003 | Isidorov, Vinogorova, et al., 2003 | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2003 | Duckham, Dodson, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 8 CB | SPB-5 | CP Sil 5 CB | CP-Sil 8CB-MS | SPB-1 |
Column length (m) | 60. | 30. | 50. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.4 | 0.25 | 4. |
Tstart (C) | 40. | 60. | 60. | 40. | 45. |
Tend (C) | 250. | 250. | 280. | 280. | 240. |
Heat rate (K/min) | 4. | 4. | 3. | 4. | 5. |
Initial hold (min) | 8. | 2. | 10. | 2. | 13. |
Final hold (min) | 10. | 20. | 60. | 5. | |
I | 743. | 736. | 700. | 740. | 721. |
Reference | Duckham, Dodson, et al., 2002 | Pino, Marbot, et al., 2002 | Pino, Marbot, et al., 2002, 2 | Bruna, Hierro, et al., 2001 | Larráyoz, Addis, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | CP Sil 5 CB | DB-5 | SE-30 | OV-1 |
Column length (m) | 50. | 50. | 30. | 50. | 20. |
Carrier gas | He | He | H2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.2 | 0.32 |
Phase thickness (μm) | 0.4 | 0.4 | 1. | 0.3 | |
Tstart (C) | 60. | 60. | 40. | 50. | 45. |
Tend (C) | 280. | 280. | 210. | 250. | 220. |
Heat rate (K/min) | 3. | 3. | 3. | 6. | 10. |
Initial hold (min) | 10. | 10. | 5. | ||
Final hold (min) | 60. | 60. | 10. | ||
I | 700. | 700. | 743. | 704. | 710. |
Reference | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 | Moio, Piombino, et al., 2000 | Paramonov, Khalilova, et al., 2000 | Valero, Sanz, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BPX-5 | SPB-5 | DB-5 | DB-5 | DB-5 |
Column length (m) | 50. | 60. | 20. | 30. | 30. |
Carrier gas | He | He | He | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.50 | 1. | 1. | 1. | |
Tstart (C) | 40. | 40. | 50. | 40. | 40. |
Tend (C) | 280. | 200. | 350. | 210. | 210. |
Heat rate (K/min) | 4. | 3. | 5.5 | 3. | 3. |
Initial hold (min) | 5. | ||||
Final hold (min) | 2. | ||||
I | 750. | 734. | 750. | 740. | 742. |
Reference | Aaslyng, Elmore, et al., 1998 | Verdier-Metz., Coulon, et al., 1998 | Komárek, Richter, et al., 1998 | Moio and Addeo, 1998 | Moio and Addeo, 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | DB-1 | DB-1 |
Column length (m) | 30. | 60. | 60. | 60. | 25. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.248 | 0.248 | 0.248 | 0.2 |
Phase thickness (μm) | 5. | 0.25 | 0.25 | 0.25 | 0.11 |
Tstart (C) | 35. | 50. | 50. | 50. | 50. |
Tend (C) | 270. | 250. | 250. | 250. | 250. |
Heat rate (K/min) | 10. | 5. | 5. | 5. | 5. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 717. | 718. | 719. | 719. | 719. |
Reference | Bartelt, 1997 | Lee, DeMilo, et al., 1997 | Lee, DeMilo, et al., 1997 | Lee, DeMilo, et al., 1997 | Warthen, Lee, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | SPB-1 | HP-101 |
Column length (m) | 25. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.248 | 0.248 | 0.25 | 0.25 |
Phase thickness (μm) | 0.11 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 50. | 50. | 50. | 50. | 70. |
Tend (C) | 250. | 250. | 250. | 250. | 200. |
Heat rate (K/min) | 5. | 5. | 5. | 5. | 3. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | |||||
I | 724. | 714. | 722. | 717. | 736. |
Reference | Warthen, Lee, et al., 1997 | DeMilo, Lee, et al., 1996 | DeMilo, Lee, et al., 1996 | Lee, DeMilo, et al., 1995 | Chung, Eiserich, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | DB-1 | SE-30 | CP Sil 5 CB | OV-1 |
Column length (m) | 60. | 50. | 25. | 25. | 183. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.3 | 0.22 | 0.762 |
Phase thickness (μm) | 0.25 | 1.05 | |||
Tstart (C) | -20. | 40. | 50. | 70. | 0. |
Tend (C) | 280. | 260. | 205. | 230. | |
Heat rate (K/min) | 10. | 2. | 6. | 4. | 1. |
Initial hold (min) | 5. | ||||
Final hold (min) | 20. | 40. | |||
I | 719. | 743. | 716. | 715. | 728. |
Reference | Izzo and Ho, 1993 | Wu, Kuo, et al., 1991 | Korhonen, 1984 | Hendriks and Bruins, 1983 | Schreyen, Dirinck, et al., 1976 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Packed |
---|---|---|
Active phase | OV-1 | SE-30 |
Column length (m) | 183. | |
Carrier gas | N2 | |
Substrate | Celite | |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Tstart (C) | 0. | 75. |
Tend (C) | 230. | 228. |
Heat rate (K/min) | 1. | |
Initial hold (min) | ||
Final hold (min) | ||
I | 722. | 723. |
Reference | Schreyen, Dirinck, et al., 1976, 2 | van den Dool and Kratz, 1963 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Engel and Ratel, 2007
Engel, E.; Ratel, J.,
Correction of the data generated by mass spectrometry analyses of biological tissues: Application to food authentication,
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Characterization of the key aroma compounds in soy sauce using approaches of molecular sensory science,
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Bylaite and Meyer, 2006
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Kafkas, Cabaroglu, et al., 2006
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Identification of volatile aroma compounds of strawberry wine using solid-phase microextraction techniques coupled with gas chromatography-mass spectrometry,
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Pino, Mesa, et al., 2005
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Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
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Cavalli, Fernandez, et al., 2003
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Isidorov, Vinogorova, et al., 2003
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Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
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Pino, Marbot, et al., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
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Effect of cultivar and storage time on the volatile flavor components of baked potato,
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Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
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Pino, Marbot, et al., 2002, 2
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Pino and Marbot, 2001
Pino, J.A.; Marbot, R.,
Volatile flavor constituents of acerola (Malpighia emarginata DC.) fruit,
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Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
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Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
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Paramonov, Khalilova, et al., 2000
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Valero, Sanz, et al., 1999
Valero, E.; Sanz, J.; Martinez-Castro, I.,
Volatile components in microwave- and conventionally-heated milk,
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Aaslyng, Elmore, et al., 1998
Aaslyng, M.D.; Elmore, J.S.; Mottram, D.S.,
Comparison of the aroma characteristics of acid-hydrolyzed and enzyme-hydrolyzed vegetable proteins produced from soy,
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Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L.,
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Komárek, Richter, et al., 1998
Komárek, K.; Richter, P.; Hoffmann, J.,
Capillary gas chromatography of n-butyl and isobutyl-, n-amyl and isoamyl polyethylene glycol ethers and their derivatives,
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Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
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Bartelt, 1997
Bartelt, R.J.,
Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles,
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Lee, DeMilo, et al., 1997
Lee, C.-J.; DeMilo, A.B.; Moreno, D.S.; Mangan, R.L.,
Identification of the volatile components of E802 Mazoferm steepwater, a condensed fermented corn extractive highly attractive to the Mexican fruit fly (Diptera: Tephritidae),
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Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
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