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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Normal alkane 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 | Polydimethyl siloxane: CP-Sil 5 CB | Optima-5 MS | HP-5 MS | HP-5 MS | HP-5 |
Column length (m) | 60. | 30. | 30. | 30. | 10. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.10 |
Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.40 |
Tstart (C) | 45. | 35. | 50. | 40. | 40. |
Tend (C) | 210. | 250. | 240. | 250. | 280. |
Heat rate (K/min) | 3.6 | 10. | 4. | 4. | 20. |
Initial hold (min) | 1.45 | 3. | 2. | 2. | 1. |
Final hold (min) | 2.72 | 5. | 10. | 5. | 1. |
I | 654. | 655. | 650. | 656. | 670. |
Reference | Bramston-Cook, 2013 | Goeminne, Vandendriessche, et al., 2012 | Pino, Marquez, et al., 2010 | Raffo, Kelderer, et al., 2009 | Mildner-Szkudlarz and Jelen, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | SPB-5 | SPB-5 | HP-5 | SPB-5 |
Column length (m) | 60. | 60. | 60. | 30. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 40. | 35. | 60. |
Tend (C) | 230. | 230. | 230. | 200. | 250. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 4. |
Initial hold (min) | 5. | 5. | 5. | 5. | 2. |
Final hold (min) | 5. | 5. | 5. | 20. | |
I | 664. | 664. | 664. | 646. | 668. |
Reference | Vasta, Ratel, et al., 2007 | Vasta, Ratel, et al., 2007 | Vasta, Ratel, et al., 2007 | Isidorov, Purzynska, et al., 2006 | Pino, Marbot, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | MDN-5 | HP-5 | SPB-5 | RSL-200 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | Helium | H2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 35. | 40. | 50. | 60. | 40. |
Tend (C) | 280. | 280. | 200. | 250. | 280. |
Heat rate (K/min) | 5. | 20. | 3. | 4. | 6. |
Initial hold (min) | 2. | 1. | 2. | 5. | |
Final hold (min) | 4. | 1. | 20. | 5. | |
I | 688. | 670. | 665. | 668. | 643. |
Reference | Dhanda, Pegg, et al., 2003 | Mildner-Szkudlarz, Jelen, et al., 2003 | Isidorov and Jdanova, 2002 | Pino, Marbot, et al., 2002 | Ngassoum, Jirovetz, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | BP-1 | OV-101 | Methyl Silicone | HP-5 | Ultra-2 |
Column length (m) | 50. | 50. | 60. | 25. | 50. |
Carrier gas | He | Nitrogen | He | ||
Substrate | |||||
Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.20 | 0.32 |
Phase thickness (μm) | 0.75 | 0.25 | 0.33 | 0.52 | |
Tstart (C) | 50. | 40. | 40. | 50. | 40. |
Tend (C) | 200. | 200. | 220. | 180. | 250. |
Heat rate (K/min) | 5. | 2. | 5. | 5. | 4. |
Initial hold (min) | 10. | 10. | 3. | 3. | |
Final hold (min) | 30. | ||||
I | 643. | 635. | 642.48 | 663. | 652. |
Reference | Health Safety Executive, 2000 | Tamura, Boonbumrung, et al., 2000 | Baraldi, Rapparini, et al., 1999 | Jung, Wichmann, et al., 1999 | King, Matthews, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-1 | OV-101 | Ultra-2 | DB-5 | DB-1 |
Column length (m) | 60. | 50. | 50. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.22 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.52 | 0.25 | 0.25 | ||
Tstart (C) | 30. | 80. | 40. | 40. | 50. |
Tend (C) | 200. | 200. | 250. | 200. | 240. |
Heat rate (K/min) | 4. | 2. | 4. | 3. | 3. |
Initial hold (min) | 25. | 3. | 2. | 5. | |
Final hold (min) | 20. | 30. | |||
I | 638. | 655. | 681. | 653. | 633. |
Reference | Buttery, Stern, et al., 1994 | Egolf and Jurs, 1993 | King, Hamilton, et al., 1993 | Shimoda, Shibamoto, et al., 1993 | Shiota, 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 | DB-1 | DB-1 | OV-101 |
Column length (m) | 30. | 30. | 30. | 60. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1.2 | 0.5 |
Tstart (C) | 50. | 50. | 50. | 30. | 50. |
Tend (C) | 240. | 240. | 240. | 240. | 250. |
Heat rate (K/min) | 3. | 5. | 5. | 3. | 4. |
Initial hold (min) | 5. | 3. | 3. | 10. | |
Final hold (min) | |||||
I | 634. | 633. | 634. | 661. | 656. |
Reference | Shiota, 1993 | Shiota, 1993 | Shiota, 1993 | Ciccioli, Cecinato, et al., 1992 | Misharina, Golovnya, et al., 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | HP-5 | HP-5 | DB-1 | OV-101 |
Column length (m) | 50. | 50. | 50. | 60. | 50. |
Carrier gas | H2 | H2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.28 | 0.3 | 0.3 | 0.32 | 0.25 |
Phase thickness (μm) | |||||
Tstart (C) | 80. | 80. | 80. | 50. | 80. |
Tend (C) | 200. | 250. | 250. | 250. | 200. |
Heat rate (K/min) | 2. | 16. | 16. | 4. | 2. |
Initial hold (min) | |||||
Final hold (min) | 5. | ||||
I | 655. | 647. | 655. | 637. | 640. |
Reference | Anker, Jurs, et al., 1990 | Spadone, Takeoka, et al., 1990 | Spadone, Takeoka, et al., 1990 | Binder, Flath, et al., 1989 | Sugisawa, Yamamoto, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Packed |
---|---|---|---|---|---|
Active phase | DB5-30W | DB-1 | OV-101 | SP 2100 | Apiezon L |
Column length (m) | 30. | 50. | 50. | 40. | 2. |
Carrier gas | He | He | Helium | ||
Substrate | Chromosorb G-AW-DMCS | ||||
Column diameter (mm) | 0.25 | 0.32 | 0.31 | 0.20 | |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 60. | 0. | 0. | 40. | 25. |
Tend (C) | 300. | 250. | 225. | 200. | |
Heat rate (K/min) | 5. | 3. | 3. | 10. | 10. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 640. | 657. | 661. | 654. | 670. |
Reference | Schwab and Schreier, 1988 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Labropoulos, Palmer, et al., 1982 | Dahlmann, Köser, et al., 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | OV-1 | SF-96 |
Column length (m) | 183. | 111. |
Carrier gas | N2 | Nitrogen |
Substrate | ||
Column diameter (mm) | 0.762 | 0.76 |
Phase thickness (μm) | ||
Tstart (C) | 0. | |
Tend (C) | 230. | 130. |
Heat rate (K/min) | 1. | 3. |
Initial hold (min) | 8. | |
Final hold (min) | 40. | |
I | 657. | 684. |
Reference | Schreyen, Dirinck, et al., 1979 | Donetzhuber, Johansson, et al., 1976 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Goeminne, Vandendriessche, et al., 2012
Goeminne, P.C.; Vandendriessche, T.; Van Eldere, J.; Nicolai, B.M.; Hertog, M.L.; Dupont, L.J.,
Detection of Pseudomonas aeruginosa in sputum headspace through volatile organic compound analysis,
Respiratory Res., 2012, 13, 87, 1-9. [all data]
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
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Raffo, Kelderer, et al., 2009
Raffo, A.; Kelderer, M.; Paoletti, F.; Zanella, A.,
Impact of innovative controlled atmosphere storage technologies and postharvest treatment on volatile compound production in Cv. Pinova apples,
J. Agric. Food Chem., 2009, 57, 3, 915-923, https://doi.org/10.1021/jf802054y
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Mildner-Szkudlarz and Jelen, 2008
Mildner-Szkudlarz, S.; Jelen, H.H.,
The potential of different techniques for volatile compounds analysis coupled with PCA for the detection of the adulteration of olive oil with hazelnut oil,
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Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n
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Isidorov, Purzynska, et al., 2006
Isidorov, V.; Purzynska, A.; Modzelewska, A.; Serowiecka, M.,
Distribution coefficients of aliphatic alcohols, carbonyl compounds and esters between air and Carboxen/polydimethylsiloxane fiber coating,
Anal. Chim. Acta., 2006, 560, 1-2, 103-109, https://doi.org/10.1016/j.aca.2005.12.043
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Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of genipap (Genipa americana L.) fruit from Cuba,
Flavour Fragr. J., 2005, 20, 6, 583-586, https://doi.org/10.1002/ffj.1491
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Dhanda, Pegg, et al., 2003
Dhanda, J.S.; Pegg, R.B.; Shand, P.J.,
Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]
Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E.,
Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation,
Food Chem., 2003, 83, 4, 515-522, https://doi.org/10.1016/S0308-8146(03)00147-X
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Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M.,
Volatile organic compounds from leaves litter,
Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Ngassoum, Jirovetz, et al., 2001
Ngassoum, M.B.; Jirovetz, L.; Buchbauer, G.,
SPME/GC/MS analysis of headspace aroma compounds of the Cameroonian fruit Tetrapleura tetraptera (Thonn.) Taub.,
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Health Safety Executive, 2000
Health Safety Executive,
MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography
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Tamura, Boonbumrung, et al., 2000
Tamura, H.; Boonbumrung, S.; Yoshizawa, T.; Varanyanond, W.,
Volatile components of the essential oil in the pulp of four yellow mangoes (Mangifera indica L.) in Thailand,
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Baraldi, Rapparini, et al., 1999
Baraldi, R.; Rapparini, F.; Rossi, F.; Latella, A.; Ciccioli, P.,
Volatile organic compound emissions from flowers of the most occurring and economically important species of fruit trees,
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Jung, Wichmann, et al., 1999
Jung, A.; Wichmann, K.-H.; Kolb, M.,
VOC emission of polymeric packaging materials,
LaborPraxis, 1999, 23, 9, 20-22. [all data]
King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking,
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Buttery, Stern, et al., 1994
Buttery, R.G.; Stern, D.J.; Ling, L.C.,
Studies on flavor volatiles of some sweet corn products,
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Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
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King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction,
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Shimoda, Shibamoto, et al., 1993
Shimoda, M.; Shibamoto, T.; Noble, A.C.,
Evaluation of heaspace volatiles of Cabernet Sauvignon wines sampled by an on-column method,
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Shiota, 1993
Shiota, H.,
New esteric components in the volatiles of banana fruit (Musa sapientum L.),
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Ciccioli, Cecinato, et al., 1992
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Frattoni, M.; Liberti, A.,
Use of carbon adsorption traps combined with high resolution gas chromatography - mass spectrometry for the analysis of polar and non-polar C4-C14 hydrocarbons involved in photochemical smog formation,
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Misharina, Golovnya, et al., 1991
Misharina, T.A.; Golovnya, R.V.; Charnomskii, V.V.,
Volatile components of boiled shrimp funchalia woodwardi and crab geryon maritae,
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Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups,
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Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R.,
Analytical Investigation of Rio Off-Flavor in Green Coffee,
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Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
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Sugisawa, Yamamoto, et al., 1989
Sugisawa, H.; Yamamoto, M.; Tamura, H.; Takagi, N.,
The comparison of volatile components in peel oil from four species of navel orange,
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Schwab and Schreier, 1988
Schwab, W.; Schreier, P.,
Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors,
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Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
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del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R.,
Comparison of headspace volatiles from winged beans and soybeans,
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Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
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Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H.,
Multiple korrelation von retentionsindizes,
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. [all data]
Schreyen, Dirinck, et al., 1979
Schreyen, L.; Dirinck, P.; Sandra, P.; Schamp, N.,
Flavor analysis of quince,
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Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C.,
Gas phase characterization of wood, pulp, and paper,
Appl. Polymer Symp., 1976, 28, 889-901. [all data]
Notes
Go To: Top, Normal alkane 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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