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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 | HP-5MS | CP-Sil 8CB-MS | SPB-5 |
Column length (m) | 60. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 1. | 1. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 50. | 60. | 40. | 60. |
Tend (C) | 230. | 290. | 250. | 280. | 250. |
Heat rate (K/min) | 3. | 10. | 4. | 4. | 4. |
Initial hold (min) | 2. | 1. | 2. | 2. | 2. |
Final hold (min) | 10. | 10. | 20. | 5. | 20. |
I | 629. | 654. | 622. | 629. | 622. |
Reference | Engel and Ratel, 2007 | Bylaite and Meyer, 2006 | Pino, Mesa, et al., 2005 | Hierro, de la Hoz, et al., 2004 | Pino, Marbot, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Sil 8CB-MS | Petrocol DH | Petrocol DH | CP Sil 5 CB | DB-5 |
Column length (m) | 60. | 50. | 50. | 60. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | 1. |
Tstart (C) | 40. | 35. | 35. | 60. | 50. |
Tend (C) | 280. | 200. | 200. | 280. | 200. |
Heat rate (K/min) | 4. | 3. | 3. | 3. | 2.5 |
Initial hold (min) | 2. | 10. | 10. | 10. | |
Final hold (min) | 5. | 10. | 10. | 60. | |
I | 626. | 624.7 | 626.1 | 590. | 621.2 |
Reference | Bruna, Hierro, et al., 2003 | Censullo, Jones, et al., 2003 | Censullo, Jones, et al., 2003 | Pino, Almora, 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 8CB-MS | SPB-1 | CP Sil 5 CB | BPX-5 |
Column length (m) | 50. | 60. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.4 | 0.25 | 4. | 0.4 | 0.50 |
Tstart (C) | 60. | 40. | 45. | 60. | 40. |
Tend (C) | 280. | 280. | 240. | 280. | 280. |
Heat rate (K/min) | 3. | 4. | 5. | 3. | 4. |
Initial hold (min) | 10. | 2. | 13. | 10. | |
Final hold (min) | 60. | 5. | 60. | ||
I | 592. | 609. | 617. | 592. | 644. |
Reference | Pino, Marbot, et al., 2002 | Bruna, Hierro, et al., 2001 | Larráyoz, Addis, et al., 2001 | Pino, Marbot, et al., 2001 | Aaslyng, Elmore, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | DB-1 | DB-1 | DB-1 | DB-1 |
Column length (m) | 60. | 30. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.248 | 0.248 | 0.248 |
Phase thickness (μm) | 1. | 5. | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 35. | 50. | 50. | 50. |
Tend (C) | 200. | 270. | 250. | 250. | 250. |
Heat rate (K/min) | 3. | 10. | 5. | 5. | 5. |
Initial hold (min) | 5. | 1. | |||
Final hold (min) | 2. | ||||
I | 627. | 611. | 611. | 611. | 612. |
Reference | Verdier-Metz., Coulon, et al., 1998 | Bartelt, 1997 | Lee, DeMilo, et al., 1997 | Lee, DeMilo, et al., 1997 | Lee, DeMilo, 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 | SPB-1 | SE-30 | OV-1 |
Column length (m) | 30. | 30. | 30. | 25. | 183. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.248 | 0.248 | 0.25 | 0.3 | 0.762 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 50. | 50. | 50. | 50. | 0. |
Tend (C) | 250. | 250. | 250. | 230. | |
Heat rate (K/min) | 5. | 5. | 5. | 6. | 1. |
Initial hold (min) | 5. | 5. | 5. | ||
Final hold (min) | |||||
I | 609. | 609. | 612. | 614. | 627. |
Reference | DeMilo, Lee, et al., 1996 | DeMilo, Lee, et al., 1996 | Lee, DeMilo, et al., 1995 | Korhonen, 1984 | 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 | 627. |
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,
J. Chromatogr. A, 2007, 1154, 1-2, 331-341, https://doi.org/10.1016/j.chroma.2007.02.012
. [all data]
Bylaite and Meyer, 2006
Bylaite, E.; Meyer, A.S.,
· Characterisation of volatile aroma compounds of orange juices by three dynamic and static headspace gas chromatography techniques,
Eur. Food Res. Technol., 2006, 222, 1-2, 176-184, https://doi.org/10.1007/s00217-005-0141-8
. [all data]
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,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
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
. [all data]
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],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
Bruna, Hierro, et al., 2003
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A.,
Changes in selected biochemical and sensory parameters as affected by the superficial inoculation of Penicillium camemberti on dry fermented sausages,
Int. J. Food Microbiol., 2003, 85, 1-2, 111-125, https://doi.org/10.1016/S0168-1605(02)00505-6
. [all data]
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,
J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922
. [all data]
Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R.,
Volatile components of papaya (Carica papaya L., maradol variety) fruit,
Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248
. [all data]
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,
Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatile in Cosa Rican Guava [Psidium friedrichsthalianum (Berg) Niedenzu] fruit,
J. Agric. Food Chem., 2002, 50, 21, 6023-6026, https://doi.org/10.1021/jf011456i
. [all data]
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,
Meat Sci., 2001, 59, 1, 97-107, https://doi.org/10.1016/S0309-1740(01)00058-4
. [all data]
Larráyoz, Addis, et al., 2001
Larráyoz, P.; Addis, M.; Gauch, R.; Bosset, J.O.,
Comparison of dynamic headspace and simultaneous distillation extraction techniques used for the analysis of the volatile components in three European PDO ewes milk cheeses,
Int. Dairy J., 2001, 11, 11-12, 911-926, https://doi.org/10.1016/S0958-6946(01)00144-3
. [all data]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
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,
J. Agric. Food Chem., 1998, 46, 12, 5225-5231, https://doi.org/10.1021/jf9806816
. [all data]
Verdier-Metz., Coulon, et al., 1998
Verdier-Metz., I.; Coulon, J.-B.; PPradel, P.; Viallon, C.; Berdague, J.-L.,
Effect of forage conservation (hay or silage) and cow breed on the coagulation properties of milks and on the characteristics of ripened cheeses,
J. Dairy Res., 1998, 65, 1, 9-21, https://doi.org/10.1017/S0022029997002616
. [all data]
Bartelt, 1997
Bartelt, R.J.,
Calibration of a commercial solid-phase microextraction device for measuring headspace concentrations of organic volatiles,
Anal. Chem., 1997, 69, 3, 364-372, https://doi.org/10.1021/ac960820n
. [all data]
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),
J. Agric. Food Chem., 1997, 45, 6, 2327-2331, https://doi.org/10.1021/jf960632y
. [all data]
DeMilo, Lee, et al., 1996
DeMilo, A.B.; Lee, C.-J.; Moreno, D.S.; Martinez, A.J.,
Identification of volatiles derived from Citrobacter freundii fermentation of a trypticase soy broth,
J. Agric. Food Chem., 1996, 44, 2, 607-612, https://doi.org/10.1021/jf950525o
. [all data]
Lee, DeMilo, et al., 1995
Lee, C.-J.; DeMilo, A.B.; Moreno, D.S.; Martinez, A.J.,
Analysis of the volatile components of a bacterial fermentation that is attractive to the Mexican fruit fly, Anastrepha ludens,
J. Agric. Food Chem., 1995, 43, 5, 1348-1351, https://doi.org/10.1021/jf00053a041
. [all data]
Korhonen, 1984
Korhonen, I.O.O.,
Gas-Liquid Chromatographic Analyses. XXV. Branched-Chain C3-C5 Alkyl Esters of Halogenated Acetic Acids,
J. Chromatogr., 1984, 288, 51-69, https://doi.org/10.1016/S0021-9673(01)93681-7
. [all data]
Schreyen, Dirinck, et al., 1976
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Analysis of leek volatiles by headspace condensation,
J. Agric. Food Chem., 1976, 24, 6, 1147-1152, https://doi.org/10.1021/jf60208a023
. [all data]
Schreyen, Dirinck, et al., 1976, 2
Schreyen, L.; Dirinck, P.; van Wassenhove, F.; Schamp, N.,
Volatile flavor components of leek,
J. Agric. Food Chem., 1976, 24, 2, 336-341, https://doi.org/10.1021/jf60204a056
. [all data]
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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.