Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- IUPAC Standard InChI: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
- IUPAC Standard InChIKey: BBMCTIGTTCKYKF-UHFFFAOYSA-N
- CAS Registry Number: 53535-33-4
- 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. - Species with the same structure:
- Other names: heptan-1-ol
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, 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 | DB-Wax | DB-Wax | DB-Wax | Stabilwax | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 1. | 0.5 |
| Program | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) | 40C(5min) => 10C/min => 160C => 15C/min => 230C | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) |
| I | 1457. | 1457. | 1462. | 1480. | 1457. |
| Reference | Selli, Canbas, et al., 2006 | Selli, Canbas, et al., 2006, 2 | Hallier, Prost, et al., 2005 | Wang, Finn, et al., 2005 | Selli, Cabaroglu, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | Supelcowax-10 |
| Column length (m) | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | 0.25 |
| Program | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C | 50C => 3C/min => 180C => 5C/min => 250C (15min) | 20C(0.5min) => 60C => 4C/min => 250C |
| I | 1457. | 1457. | 1475. | 1449. |
| Reference | Pennarun, Prost, et al., 2003 | Pennarun, Prost, et al., 2002 | Prost, Serot, et al., 1998 | Sing, Smadja, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z.,
Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment,
Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019
. [all data]
Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z.,
Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince,
Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005
. [all data]
Hallier, Prost, et al., 2005
Hallier, A.; Prost, C.; Serot, T.,
Influence in rearing conditions on the volatile compounds of cooked fillets of Silurus glanis (European catfish),
J. Agric. Food Chem., 2005, 53, 18, 7204-7211, https://doi.org/10.1021/jf050559o
. [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]
Selli, Cabaroglu, et al., 2004
Selli, S.; Cabaroglu, T.; Canbas, A.; Erten, H.; Nurgel, C.; Lepoutre, J.P.; Gunata, Z.,
Volatile composition of red wine from cv. Kalecik Karasi grown in central Anatolia,
Food Chem., 2004, 85, 2, 207-213, https://doi.org/10.1016/j.foodchem.2003.06.008
. [all data]
Pennarun, Prost, et al., 2003
Pennarun, A.-L.; Prost, C.; Haure, J.; Demaimay, M.,
Comparison of two microalgal diets. 2. Influence on odorant composition and organoleptic qualities of raw oysters (Crassostrea gigas),
J. Agric. Food Chem., 2003, 51, 7, 2011-2018, https://doi.org/10.1021/jf020549c
. [all data]
Pennarun, Prost, et al., 2002
Pennarun, A.L.; Prost, C.; Demaimay, M.,
Identification and origin of the character-impact compounds of raw oyster Crassostrea gigas,
J. Sci. Food Agric., 2002, 82, 14, 1652-1660, https://doi.org/10.1002/jsfa.1236
. [all data]
Prost, Serot, et al., 1998
Prost, C.; Serot, T.; Demaimay, M.,
Identification of the most potent odorants in wild and farmed cooked turbot (Scophtalamus maximus L.),
J. Agric. Food Chem., 1998, 46, 8, 3214-3219, https://doi.org/10.1021/jf980128o
. [all data]
Sing, Smadja, et al., 1992
Sing, A.S.C.; Smadja, J.; Brevard, H.; Maignial, L.; Chaintreau, A.; Marion, J.-P.,
Volatile constituents of faham (Jumellea fragrans (Thou.) Schltr.),
J. Agric. Food Chem., 1992, 40, 4, 642-646, https://doi.org/10.1021/jf00016a024
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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