3-Hexanol
- Formula: C6H14O
- Molecular weight: 102.1748
- IUPAC Standard InChIKey: ZOCHHNOQQHDWHG-UHFFFAOYSA-N
- CAS Registry Number: 623-37-0
- 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: Hexan-3-ol; C2H5CH(OH)C3H7; Ethylpropylcarbinol; Hexanol-(3)
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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 | HP-5 MS | DB-5 | HP-5 | DB-1 | DB-1 |
Column length (m) | 30. | 60. | 50. | 60. | 60. |
Carrier gas | Helium | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
Phase thickness (μm) | 0.25 | 1. | 0.52 | ||
Tstart (C) | 70. | 40. | 35. | 50. | 50. |
Tend (C) | 290. | 200. | 250. | 230. | 250. |
Heat rate (K/min) | 5. | 3. | 2. | 4. | 4. |
Initial hold (min) | 5. | 15. | 0.1 | ||
Final hold (min) | 10. | 45. | 10. | 5. | |
I | 797. | 811. | 806. | 776. | 776. |
Reference | Radulovic, Dordevic, et al., 2010 | Joffraud, Leroi, et al., 2001 | Boylston and Viniyard, 1998 | Binder, Benson, et al., 1990 | Binder and Flath, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-1 | OV-101 |
Column length (m) | 60. | 60. | 50. | 50. |
Carrier gas | He | He | He | |
Substrate | ||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.31 |
Phase thickness (μm) | ||||
Tstart (C) | 30. | 30. | 0. | 0. |
Tend (C) | 210. | 210. | 250. | 225. |
Heat rate (K/min) | 2. | 2. | 3. | 3. |
Initial hold (min) | 4. | 4. | 1. | |
Final hold (min) | ||||
I | 784. | 784. | 791. | 788. |
Reference | Takeoka and Butter, 1989 | Takeoka and Butter, 1989 | Habu, Flath, et al., 1985 | del Rosario, de Lumen, et al., 1984 |
Comment | MSDC-RI | 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.
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [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]
Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Binder, Benson, et al., 1990
Binder, R.G.; Benson, M.E.; Flath, R.A.,
Volatile Components of Safflower,
J. Agric. Food Chem., 1990, 38, 5, 1245-1248, https://doi.org/10.1021/jf00095a020
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Takeoka and Butter, 1989
Takeoka, G.; Butter, R.G.,
Volatile constituents of pineapple (Ananas Comosus [L.] Merr.)
in Flavor Chemistry. Trends and Developments, Teranishi,R.; Buttery,R.G.; Shahidi,F., ed(s)., American Chemical Society, Washington, DC, 1989, 223-237. [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]
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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