1-Propanol
- Formula: C3H8O
- Molecular weight: 60.0950
- 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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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 | CP-Sil 8CB-MS | HP-5MS | CP-Sil 8CB-MS |
Column length (m) | 60. | 30. | 0. | 30. | 60. |
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. | 40. | 60. | 40. |
Tend (C) | 230. | 290. | 280. | 250. | 280. |
Heat rate (K/min) | 3. | 10. | 4. | 4. | 4. |
Initial hold (min) | 2. | 1. | 2. | 2. | 2. |
Final hold (min) | 10. | 10. | 5. | 20. | 5. |
I | 555. | 595. | 551. | 568. | 560. |
Reference | Engel and Ratel, 2007 | Bylaite and Meyer, 2006 | Elmore, Cooper, et al., 2005 | Pino, Mesa, et al., 2005 | Hierro, de la Hoz, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | SPB-5 | SPB-5 | CP Sil 5 CB | CP-Sil 8CB-MS | SE-30 |
Column length (m) | 30. | 30. | 30. | 60. | 25. |
Carrier gas | He | He | H2 | He | |
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 | 1. |
Tstart (C) | 60. | 60. | 60. | 40. | 60. |
Tend (C) | 250. | 250. | 280. | 280. | |
Heat rate (K/min) | 4. | 4. | 2. | 4. | 2. |
Initial hold (min) | 2. | 2. | 10. | 2. | |
Final hold (min) | 20. | 20. | 40. | ||
I | 568. | 568. | 524. | 521. | 551. |
Reference | Pino, Marbot, et al., 2003 | Pino, Marbot, et al., 2002 | Pino, Marbot, et al., 2002, 2 | Bruna, Hierro, 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 | SE-30 | SPB-1 | SE-30 |
Column length (m) | 25. | 25. | 25. | 30. | 25. |
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. | 1. | 4. | 1. |
Tstart (C) | 60. | 60. | 60. | 45. | 60. |
Tend (C) | 240. | ||||
Heat rate (K/min) | 4. | 6. | 8. | 5. | 4. |
Initial hold (min) | 13. | ||||
Final hold (min) | 5. | ||||
I | 555. | 557. | 556. | 537. | 540.2 |
Reference | Golovnya, Samusenko, et al., 2001 | Golovnya, Samusenko, et al., 2001 | Golovnya, Samusenko, et al., 2001 | Larráyoz, Addis, et al., 2001 | Golovnya, Kuz'menko, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | SE-30 | DB-1 | DB-1 |
Column length (m) | 25. | 30. | 15. |
Carrier gas | He | He | |
Substrate | |||
Column diameter (mm) | 0.32 | 0.32 | 0.53 |
Phase thickness (μm) | 1. | 5. | 1. |
Tstart (C) | 60. | 35. | 40. |
Tend (C) | 270. | 250. | |
Heat rate (K/min) | 4. | 10. | 8. |
Initial hold (min) | 1. | 4. | |
Final hold (min) | |||
I | 540.2 | 546. | 552. |
Reference | Golovnya, Kuz'menko, et al., 2000, 2 | Bartelt, 1997 | Peng, 1992 |
Comment | MSDC-RI | MSDC-RI | 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]
Elmore, Cooper, et al., 2005
Elmore, J.S.; Cooper, S.L.; Enser, M.; Mottram, D.S.; Sinclair, L.A.; Wilkinson, R.G.; Wood, J.D.,
Dietary manipulation of fatty acid composition in lamb meat and its effect on the volatile aroma compounds of grilled lamb,
Meat Sci., 2005, 69, 2, 233-242, https://doi.org/10.1016/j.meatsci.2004.07.002
. [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., 2003
Pino, J.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of fruits of Garcinia dulcis Kurz. from Cuba,
Flavour Fragr. J., 2003, 18, 4, 271-274, https://doi.org/10.1002/ffj.1187
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Pino, Marbot, et al., 2002, 2
Pino, J.A.; Marbot, R.; Bello, A.,
Volatile compounds of Psidium salutare (H.B.K.) Berg. fruit,
J. Agric. Food Chem., 2002, 50, 18, 5146-5148, https://doi.org/10.1021/jf0116303
. [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]
Golovnya, Samusenko, et al., 2001
Golovnya, R.V.; Samusenko, A.L.; Kuz'menko, T.E.,
The use of a nonlinear equation for calculation of the retention indices of polar substances in gas chromatography with linear temperature programming,
Russ. Chem. Bull. (Engl. Transl.), 2001, 50, 6, 1027-1031, https://doi.org/10.1023/A:1011317218604
. [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]
Golovnya, Kuz'menko, et al., 2000
Golovnya, R.V.; Kuz'menko, T.e.; Samusenko, A.L.,
Method for prediction of the ability of analyte for self-association in pure liquid, Proceedings 23rd ISCC; CD-ROM, 2000, retrieved from http://www.richrom.com/assets/CD23PDF/a09.pdf. [all data]
Golovnya, Kuz'menko, et al., 2000, 2
Golovnya, R.V.; Kuz'menko, T.E.; Samusenko, A.L.,
Gas-chromatographic method of evaluation of n-alkanol ability for self-association in pure liquid,
Russ. Chem. Bull. (Engl. Transl.), 2000, 49, 2, 317-320, https://doi.org/10.1007/BF02494680
. [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]
Peng, 1992
Peng, C.T.,
A method for tentative identificatoin of unknown gas chromatographic peaks by retention index,
J. Radioanal. Nucl. Chem., 1992, 160, 2, 449-460, https://doi.org/10.1007/BF02037120
. [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
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