1-Butanol
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
- CAS Registry Number: 71-36-3
- 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: Butyl alcohol; n-Butan-1-ol; n-Butanol; n-Butyl alcohol; Butyl hydroxide; CCS 203; Hemostyp; Methylolpropane; Propylcarbinol; n-C4H9OH; Butanol; Butan-1-ol; 1-Hydroxybutane; Alcool butylique; Butanolo; Butylowy alkohol; Butyric alcohol; Propylmethanol; Butanolen; 1-Butyl alcohol; Rcra waste number U031; Butanol-1; NSC 62782
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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 | Mega 5MS | CP-Sil 8CB-MS |
Column length (m) | 60. | 60. | 30. | 60. | 0. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 50. | 60. | 40. |
Tend (C) | 230. | 260. | 290. | 240. | 280. |
Heat rate (K/min) | 3. | 4. | 10. | 3. | 4. |
Initial hold (min) | 2. | 2. | 1. | 2. | |
Final hold (min) | 10. | 10. | 10. | 5. | |
I | 662. | 661. | 660. | 662. | 659. |
Reference | Engel and Ratel, 2007 | Methven L., Tsoukka M., et al., 2007 | Bylaite and Meyer, 2006 | Condurso, Verzera, et al., 2006 | Elmore, Cooper, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | CP-Sil 8CB-MS | SPB-5 | SPB-5 | HP-5 |
Column length (m) | 30. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.53 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.5 | 1. |
Tstart (C) | 60. | 40. | 60. | 100. | -30. |
Tend (C) | 250. | 280. | 250. | 250. | 250. |
Heat rate (K/min) | 4. | 4. | 4. | 5. | 10. |
Initial hold (min) | 2. | 2. | 2. | 1. | |
Final hold (min) | 20. | 5. | 20. | ||
I | 668. | 653. | 668. | 651. | 669. |
Reference | Pino, Mesa, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Pino, Marbot, et al., 2004 | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | Siegmund, Derler, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Petrocol DH | Petrocol DH | CP Sil 5 CB | SPB-5 | DB-5 |
Column length (m) | 50. | 50. | 60. | 30. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 1. |
Tstart (C) | 35. | 35. | 60. | 60. | 50. |
Tend (C) | 200. | 200. | 280. | 250. | 200. |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 2.5 |
Initial hold (min) | 10. | 10. | 10. | 2. | |
Final hold (min) | 10. | 10. | 60. | 20. | |
I | 660.1 | 661.5 | 621. | 668. | 654.5 |
Reference | Censullo, Jones, et al., 2003 | Censullo, Jones, et al., 2003 | Pino, Almora, et al., 2003 | Pino, Marbot, et al., 2003 | Xu, van Stee, et al., 2003 |
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 | CP-Sil 8CB-MS | SE-30 | SE-30 |
Column length (m) | 30. | 50. | 60. | 25. | 25. |
Carrier gas | H2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.4 | 0.25 | 1. | 1. |
Tstart (C) | 60. | 60. | 40. | 60. | 60. |
Tend (C) | 280. | 280. | 280. | ||
Heat rate (K/min) | 2. | 3. | 4. | 2. | 4. |
Initial hold (min) | 10. | 10. | 2. | ||
Final hold (min) | 40. | 60. | |||
I | 619. | 619. | 653. | 660. | 659. |
Reference | Pino, Marbot, et al., 2002 | Pino, Marbot, et al., 2002, 2 | Bruna, Hierro, et al., 2001 | Golovnya, Samusenko, et al., 2001 | Golovnya, Samusenko, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | SPB-1 | CP Sil 5 CB | CP Sil 5 CB |
Column length (m) | 25. | 25. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 1. | 1. | 4. | 0.4 | 0.4 |
Tstart (C) | 60. | 60. | 45. | 60. | 60. |
Tend (C) | 240. | 280. | 280. | ||
Heat rate (K/min) | 6. | 8. | 5. | 3. | 3. |
Initial hold (min) | 13. | 10. | 10. | ||
Final hold (min) | 5. | 60. | 60. | ||
I | 659. | 658. | 653. | 619. | 619. |
Reference | Golovnya, Samusenko, et al., 2001 | Golovnya, Samusenko, et al., 2001 | Larráyoz, Addis, et al., 2001 | Pino and Marbot, 2001 | Pino, Marbot, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SE-30 | SE-30 | DB-1 | DB-1 | DB-5 |
Column length (m) | 25. | 25. | 30. | 30. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.33 |
Phase thickness (μm) | 1. | 1. | 5. | 1. | 0.25 |
Tstart (C) | 60. | 60. | 35. | -50. | -50. |
Tend (C) | 270. | 180. | 180. | ||
Heat rate (K/min) | 4. | 4. | 10. | 6. | 6. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 647.1 | 647.1 | 645. | 649.6 | 673.2 |
Reference | Golovnya, Kuz'menko, et al., 2000 | Golovnya, Kuz'menko, et al., 2000, 2 | Bartelt, 1997 | Helmig, Pollock, et al., 1996 | Helmig, Pollock, et al., 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 | SE-30 | CP Sil 5 CB | OV-1 |
Column length (m) | 25. | 15. | 25. | 25. | 183. |
Carrier gas | He | N2 | |||
Substrate | |||||
Column diameter (mm) | 0.2 | 0.53 | 0.30 | 0.22 | 0.762 |
Phase thickness (μm) | 0.3 | 1. | |||
Tstart (C) | 40. | 40. | 50. | 70. | 0. |
Tend (C) | 200. | 250. | 205. | 230. | |
Heat rate (K/min) | 2. | 8. | 6. | 4. | 1. |
Initial hold (min) | 4. | ||||
Final hold (min) | |||||
I | 653. | 659. | 646. | 640. | 666. |
Reference | Píry, Príbela, et al., 1995 | Peng, 1992 | 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 |
---|---|
Active phase | OV-1 |
Column length (m) | 183. |
Carrier gas | N2 |
Substrate | |
Column diameter (mm) | |
Phase thickness (μm) | |
Tstart (C) | 0. |
Tend (C) | 230. |
Heat rate (K/min) | 1. |
Initial hold (min) | |
Final hold (min) | |
I | 664. |
Reference | Schreyen, Dirinck, et al., 1976, 2 |
Comment | 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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Influence of sulfur amino acids on the volatile and nonvolatile components of cooked salmon (Salmo salar),
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Bylaite and Meyer, 2006
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· Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques,
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Condurso, Verzera, et al., 2006
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The leaf volatile constituents of Isatis tinctoria by solid-phase microextraction and gas chromatography/mass spectrometry,
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Elmore, Cooper, et al., 2005
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Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
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Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
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Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A.,
Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species,
Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001
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Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
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Rodríguez-Burruezo, Kollmannsberger, et al., 2004
Rodríguez-Burruezo, A.; Kollmannsberger, H.; Prohens, J.; Nitz, S.; Nuez, F.,
Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum),
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Siegmund, Derler, et al., 2004
Siegmund, B.; Derler, K.; Pfannhauser, W.,
Chemical and sensory effects of glass and laminated carton packages on fruit juice products. Still a controversial topic,
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Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T.,
Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography,
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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.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
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Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J.,
Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
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Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
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Bruna, Hierro, et al., 2001
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
The contribution of Penicillium aurantiogriseum to the volatile composition and sensory quality of dry fermented sausages,
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Golovnya, Samusenko, et al., 2001
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The use of a nonlinear equation for calculation of the retention indices of polar substances in gas chromatography with linear temperature programming,
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Larráyoz, Addis, et al., 2001
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Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
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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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Golovnya, Kuz'menko, et al., 2000
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Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid,
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Bartelt, 1997
Bartelt, R.J.,
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Helmig, Pollock, et al., 1996
Helmig, D.; Pollock, W.; Greenberg, J.; Zimmerman, P.,
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Peng, 1992
Peng, C.T.,
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Korhonen, 1984
Korhonen, I.O.O.,
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Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P.,
A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices,
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Schreyen, Dirinck, et al., 1976
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Analysis of leek volatiles by headspace condensation,
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Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
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Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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