2-Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI: InChI=1S/C7H16O/c1-3-4-5-6-7(2)8/h7-8H,3-6H2,1-2H3
- IUPAC Standard InChIKey: CETWDUZRCINIHU-UHFFFAOYSA-N
- CAS Registry Number: 543-49-7
- 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. - Stereoisomers:
- Other names: s-Heptyl alcohol; Amyl methyl carbinol; Methyl amyl carbinol; 2-Heptyl alcohol; 2-Hydroxyheptane; CH3(CH2)4CHOHCH3; Heptanol-2; n-Heptan-2-ol; Heptan-2-ol; 1-Methylhexanol; NSC 2220
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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 | VF-5MS | DB-5 | DB-5 | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 1. | 0.25 | 1. | 1. |
| Program | Multi-step temperature program; T(initial)=60C; T(final)=270C | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 40C(2min) => 2C/min => 100C => 10C/min => 230C (5min) | 35C(5min) => 10C/min => 45C (5min) => 5C/min => 250C (10min) |
| I | 901.4 | 905. | 906. | 908. | 886. |
| Reference | Tret'yakov, 2007 | Wang, Finn, et al., 2005 | Klesk and Qian, 2003 | Klesk and Qian, 2003, 2 | Place, Imhof, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-5 | SE-54 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | H2 | H2 | |
| 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 | |
| Program | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 35C (2min) => 40C/min => 50C (2min) => 4C/min => 250C (10min) |
| I | 900. | 900. | 900. | 903. | 903. |
| Reference | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Kubícková and Grosch, 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Klesk and Qian, 2003, 2
Klesk, K.; Qian, M.,
Preliminary aroma comparison of Marion (Rubus spp. hyb) and Evergreen (R. laciniatus L.) blackberries by dynamic headspace/OSME technique,
J. Food Sci., 2003, 68, 2, 697-700, https://doi.org/10.1111/j.1365-2621.2003.tb05734.x
. [all data]
Place, Imhof, et al., 2003
Place, R.B.; Imhof, M.; Teuber, M.; Olivier Bosset, J.,
Distribution of the volatile (flavour) compounds in Raclette cheese produced with different staphylococci in the smear,
Mitt. Lebensmittelunters. Hyg., 2003, 94, 192-211. [all data]
Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Kubícková and Grosch, 1997
Kubícková, J.; Grosch, W.,
Evaluation of potent odorants of camembert cheese by dilution and concentration techniques,
Int. Dairy J., 1997, 7, 1, 65-70, https://doi.org/10.1016/S0958-6946(96)00044-1
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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