1-Propanol
- Formula: C3H8O
- Molecular weight: 60.0950
- IUPAC Standard InChI: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
- IUPAC Standard InChIKey: BDERNNFJNOPAEC-UHFFFAOYSA-N
- CAS Registry Number: 71-23-8
- 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: Propyl alcohol; n-Propan-1-ol; n-Propanol; n-Propyl alcohol; Ethylcarbinol; Optal; Osmosol extra; Propanol; Propylic alcohol; 1-Propyl alcohol; n-C3H7OH; 1-Hydroxypropane; Propanol-1; Propan-1-ol; n-Propyl alkohol; Alcool propilico; Alcool propylique; Propanole; Propanolen; Propanoli; Propylowy alkohol; UN 1274; Propylan-propyl alcohol; NSC 30300; Alcohol, propyl
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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 | Petrocol DH | VF-5 MS | VF-5 MS | DB-5 MS |
| Column length (m) | 60. | 100. | 60. | 60. | 25. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.20 |
| Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.25 | 0.33 |
| Tstart (C) | 45. | 20. | 30. | 30. | 40. |
| Tend (C) | 210. | 220. | 260. | 260. | 250. |
| Heat rate (K/min) | 3.6 | 15. | 2. | 2. | 10. |
| Initial hold (min) | 1.45 | 15. | 1. | ||
| Final hold (min) | 2.72 | 30. | 28. | 28. | |
| I | 557. | 561. | 549. | 553. | 536. |
| Reference | Bramston-Cook, 2013 | Supelco, 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Majcher, Lawrowski, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-5 | SPB-5 | SPB-5 | HP-5 | HP-5 |
| Column length (m) | 60. | 60. | 60. | 30. | 60. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 1. | 1. | 1. | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 40. | 35. | 30. |
| Tend (C) | 205. | 230. | 230. | 200. | 260. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 2. |
| Initial hold (min) | 5. | 5. | 5. | 5. | 2. |
| Final hold (min) | 5. | 5. | 5. | 28. | |
| I | 559. | 559. | 559. | 548. | 557.9 |
| Reference | Berdague, Tournayre, et al., 2007 | Vasta, Ratel, et al., 2007 | Vasta, Ratel, et al., 2007 | Isidorov, Purzynska, et al., 2006 | Leffingwell and Alford, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | DB-5 | SPB-5 | DB-5 | AT-1 |
| Column length (m) | 30. | 30. | 30. | 60. | |
| Carrier gas | He | H2 | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | |
| Tstart (C) | 60. | 60. | 60. | 40. | 50. |
| Tend (C) | 250. | 280. | 250. | 200. | 300. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. | 10. |
| Initial hold (min) | 2. | 10. | 2. | 5. | 2. |
| Final hold (min) | 20. | 40. | 20. | ||
| I | 568. | 568. | 568. | 554. | 553. |
| Reference | Pino, Marbot, et al., 2005 | Pino, Marbot, et al., 2003 | Pino, Marbot, et al., 2002 | Joffraud, Leroi, et al., 2001 | Kelling, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | BP-1 | Methyl Silicone | DB-5 | OV-101 |
| Column length (m) | 30. | 50. | 60. | 60. | 50. |
| Carrier gas | H2 | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.22 | 0.25 | 0.25 | 0.28 |
| Phase thickness (μm) | 0.25 | 0.75 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 50. | 40. | 40. | 80. |
| Tend (C) | 280. | 200. | 220. | 200. | 200. |
| Heat rate (K/min) | 6. | 5. | 5. | 3. | 2. |
| Initial hold (min) | 5. | 10. | 2. | ||
| Final hold (min) | 5. | ||||
| I | 560. | 539. | 538.64 | 521. | 535. |
| Reference | Ngassoum, Jirovetz, et al., 2001 | Health Safety Executive, 2000 | Baraldi, Rapparini, et al., 1999 | Shimoda, Shibamoto, et al., 1993 | Anker, Jurs, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | OV-101 | SP 2100 |
| Column length (m) | 50. | 50. | 40. |
| Carrier gas | He | Helium | |
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.31 | 0.20 |
| Phase thickness (μm) | |||
| Tstart (C) | 0. | 0. | 40. |
| Tend (C) | 250. | 225. | 200. |
| Heat rate (K/min) | 3. | 3. | 10. |
| Initial hold (min) | 1. | ||
| Final hold (min) | |||
| I | 548. | 561. | 555. |
| Reference | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 | Labropoulos, Palmer, et al., 1982 |
| Comment | MSDC-RI | 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]
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]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Majcher, Lawrowski, et al., 2010
Majcher, M.; Lawrowski, P.; Jelen, H.,
Comparison of original and adulterated oscypek cheese based on volatile and sensory profiles,
Acta Sci. Pol. Technol. Aliment., 2010, 9, 3, 265-275. [all data]
Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S.,
Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds,
J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102
. [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]
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
. [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]
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
. [all data]
Pino, Marbot, et al., 2003
Pino, J.A.; Marbot, R.; Fuentes, V.,
Characterization of volatiles in Bullock's heart (Annona reticulata L.) fruit cultivars from Cuba,
J. Agric. Food Chem., 2003, 51, 13, 3836-3839, https://doi.org/10.1021/jf020733y
. [all data]
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]
Joffraud, Leroi, et al., 2001
Joffraud, J.J.; Leroi, F.; Roy, C.; Berdagué, J.L.,
Characterisation of volatile compounds produced by bacteria isolated from the spoilage flora of cold-smoked salmon,
Int. J. Food Microbiol., 2001, 66, 3, 175-184, https://doi.org/10.1016/S0168-1605(00)00532-8
. [all data]
Kelling, 2001
Kelling, F.J.,
Olfaction in houseflies: morphology and electrophysiology. Chapter 7. Chemical and electrophysiological analysis of components, present in natural products that attract houseflies, Dissertation, University of Groningen, The Netherlands, 2001. [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.,
Eur. Food Res. Technol., 2001, 213, 1, 18-21, https://doi.org/10.1007/s002170100330
. [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]
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,
Phys. Chem. Earth, 1999, 24, 6, 729-732, https://doi.org/10.1016/S1464-1909(99)00073-8
. [all data]
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,
J. Agric. Food Chem., 1993, 41, 10, 1664-1668, https://doi.org/10.1021/jf00034a028
. [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]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [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]
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,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [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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