Isopropyl Alcohol
- Formula: C3H8O
- Molecular weight: 60.0950
- IUPAC Standard InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
- IUPAC Standard InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
- CAS Registry Number: 67-63-0
- 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: 2-Propanol; sec-Propyl Alcohol; Alcojel; Alcosolve 2; Avantin; Avantine; Combi-Schutz; Dimethylcarbinol; Hartosol; Imsol A; Isohol; Isopropanol; Lutosol; Petrohol; Propol; PRO; Takineocol; 1-Methylethyl Alcohol; iso-C3H7OH; 2-Hydroxypropane; Propane, 2-hydroxy-; sec-Propanol; Propan-2-ol; i-Propylalkohol; Alcolo; Alcool isopropilico; Alcool isopropylique; Alkolave; Arquad DMCB; iso-Propylalkohol; Isopropyl alcohol, rubbing; IPA; Lavacol; Visco 1152; Alcosolve; i-Propanol; 2-Propyl alcohol; Spectrar; Sterisol hand disinfectant; UN 1219; n-Propan-2-ol; 1-methylethanol; Propanol-2; Virahol; IPS 1
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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 | Packed | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | Polydimethyl siloxane: CP-Sil 5 CB | Petrocol DH | SPB-5 | HP-5 |
| Column length (m) | 2. | 60. | 100. | 60. | 60. |
| Carrier gas | Nitrogen | Helium | Helium | He | |
| Substrate | Chromosorb G AW DMCS (80-100 mesh) | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
| Phase thickness (μm) | 1.0 | 0.50 | 1. | 0.25 | |
| Tstart (C) | 100. | 45. | 20. | 40. | 30. |
| Tend (C) | 300. | 210. | 220. | 230. | 260. |
| Heat rate (K/min) | 3.6 | 15. | 3. | 2. | |
| Initial hold (min) | 1.45 | 15. | 5. | 2. | |
| Final hold (min) | 2.72 | 30. | 5. | 28. | |
| I | 530. | 496. | 493. | 506. | 483.4 |
| Reference | MHA, 9999 | Bramston-Cook, 2013 | Supelco, 2012 | Vasta, Ratel, et al., 2007 | Leffingwell and Alford, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | MDN-5 | HP-5 | BP-1 | OV-101 | OV-101 |
| Column length (m) | 60. | 60. | 50. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.28 | 0.31 |
| Phase thickness (μm) | 0.25 | 1. | 0.75 | ||
| Tstart (C) | 40. | 40. | 50. | 80. | 0. |
| Tend (C) | 270. | 240. | 200. | 200. | 225. |
| Heat rate (K/min) | 4. | 3. | 5. | 2. | 3. |
| Initial hold (min) | 4. | 1. | |||
| Final hold (min) | 5. | ||||
| I | 514. | 500. | 488. | 500. | 502. |
| Reference | van Loon, Linssen, et al., 2005 | García, Martín, et al., 2000 | Health Safety Executive, 2000 | Anker, Jurs, et al., 1990 | del Rosario, de Lumen, et al., 1984 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SF-96 |
| Column length (m) | 111. |
| Carrier gas | Nitrogen |
| Substrate | |
| Column diameter (mm) | 0.76 |
| Phase thickness (μm) | |
| Tstart (C) | |
| Tend (C) | 130. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 8. |
| Final hold (min) | 40. |
| I | 516. |
| Reference | Donetzhuber, Johansson, et al., 1976 |
| Comment | 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.
MHA, 9999
MHA, Directorate of ForensicScience.,
Forensic Toxicology, 9999. [all data]
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]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
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
. [all data]
Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D.,
Volatile constituents of Perique tobacco,
Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]
van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005
. [all data]
García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J.,
Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham,
Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x
. [all data]
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
in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]
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,
Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006
. [all data]
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,
J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015
. [all data]
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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