2-Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- 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, 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 | CP-Sil 8CB-MS | DB-1 | DB-1 | CP Sil 5 CB | SPB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
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 | 4. |
Tstart (C) | 40. | 40. | 40. | 60. | 45. |
Tend (C) | 280. | 250. | 325. | 280. | 240. |
Heat rate (K/min) | 4. | 3. | 3. | 2. | 5. |
Initial hold (min) | 2. | 10. | 13. | ||
Final hold (min) | 5. | 20. | 40. | 5. | |
I | 904. | 877. | 882.5 | 884. | 885. |
Reference | Hierro, de la Hoz, et al., 2004 | Brat, Rega, et al., 2003 | Sun and Stremple, 2003 | Pino, Marbot, et al., 2002 | Larráyoz, Addis, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP Sil 5 CB | DB-1 | DB-5 | DB-5 | DB-5MS |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | He | H2 | H2 | H2 | H2 |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.4 | 0.25 | 1. | 1. | 0.25 |
Tstart (C) | 60. | 40. | 40. | 40. | 40. |
Tend (C) | 280. | 245. | 210. | 210. | 200. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 2. |
Initial hold (min) | 10. | 3. | |||
Final hold (min) | 60. | 20. | |||
I | 887. | 887. | 901. | 900. | 900. |
Reference | Pino, Marbot, et al., 2001 | Brat, Brillouet, et al., 2000 | Moio, Piombino, et al., 2000 | Moio, Piombino, et al., 2000 | Chassagne, Boulanger, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Methyl Silicone | DB-5 | DB-5 | DB-1 | DB-1 |
Column length (m) | 50. | 30. | 30. | 30. | 25. |
Carrier gas | N2 | H2 | H2 | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.2 |
Phase thickness (μm) | 0.17 | 1. | 1. | 5. | 0.11 |
Tstart (C) | 80. | 40. | 40. | 35. | 50. |
Tend (C) | 200. | 210. | 210. | 270. | 250. |
Heat rate (K/min) | 2. | 3. | 3. | 10. | 5. |
Initial hold (min) | 1. | ||||
Final hold (min) | |||||
I | 888. | 901. | 901. | 884. | 886. |
Reference | Sumathykutty, Rao, et al., 1999 | Moio and Addeo, 1998 | Moio and Addeo, 1998 | Bartelt, 1997 | Warthen, Lee, et al., 1997 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-1 | DB-1 | DB-5 | CP Sil 5 CB |
Column length (m) | 25. | 30. | 30. | 25. |
Carrier gas | He | N2 | He | |
Substrate | ||||
Column diameter (mm) | 0.2 | 0.32 | 0.26 | 0.22 |
Phase thickness (μm) | 0.11 | 0.25 | 0.25 | |
Tstart (C) | 50. | 150. | 50. | 70. |
Tend (C) | 250. | 280. | 300. | 205. |
Heat rate (K/min) | 5. | 3. | 6. | 4. |
Initial hold (min) | 4. | |||
Final hold (min) | 20. | |||
I | 886. | 897. | 896. | 892. |
Reference | Warthen, Lee, et al., 1997 | Coen, Engel, et al., 1995 | Rostad and Pereira, 1986 | Hendriks and Bruins, 1983 |
Comment | MSDC-RI | 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.
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]
Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M.,
Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice,
J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y
. [all data]
Sun and Stremple, 2003
Sun, G.; Stremple, P.,
Retention index characterization of flavor, fragrance, and many other compounds on DB-1 and DB-XLB, 2003, retrieved from http://www.chem.agilent.com/cag/cabu/pdf/b-0279.pdf. [all data]
Pino, Marbot, et al., 2002
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]
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]
Pino, Marbot, et al., 2001
Pino, J.A.; Marbot, R.; Vázquez, C.,
Characterization of volatiles in strawberry guava (Psidium cattleianum Sabine) fruit,
J. Agric. Food Chem., 2001, 49, 12, 5883-5887, https://doi.org/10.1021/jf010414r
. [all data]
Brat, Brillouet, et al., 2000
Brat, P.; Brillouet, J.-M.; Reynes, M.; Cogat, P.-O.; Ollé, D.,
Free volatile components of passion fruit puree obtained by flash vacuum-expansion,
J. Agric. Food Chem., 2000, 48, 12, 6210-6214, https://doi.org/10.1021/jf000645i
. [all data]
Moio, Piombino, et al., 2000
Moio, L.; Piombino, P.; Addeo, F.,
Odour-impact compounds of Gorgonzola cheese,
J. Dairy Res., 2000, 67, 2, 273-285, https://doi.org/10.1017/S0022029900004106
. [all data]
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [all data]
Sumathykutty, Rao, et al., 1999
Sumathykutty, M.A.; Rao, J.M.; Padmakumari, K.P.; Narayanan, C.S.,
Essential oil constituents of some Piper species,
Flavour Fragr. J., 1999, 14, 5, 279-282, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<279::AID-FFJ821>3.0.CO;2-0
. [all data]
Moio and Addeo, 1998
Moio, L.; Addeo, F.,
Grana Padano cheese aroma,
J. Dairy Res., 1998, 65, 2, 317-333, https://doi.org/10.1017/S0022029997002768
. [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]
Warthen, Lee, et al., 1997
Warthen, J.D.; Lee, C.-J.; Jang, E.B.; Lance, D.R.; McInnis, D.O.,
Volatile, potential attractants from ripe coffee fruit for female Mediterranean fruit fly,
J. Chem. Ecol., 1997, 23, 7, 1891-1900, https://doi.org/10.1023/B:JOEC.0000006458.02342.61
. [all data]
Coen, Engel, et al., 1995
Coen, M.; Engel, R.; Nahrstedt, A.,
Chavicol β-D-glucoside, a phenylpropanoid heteroside, benzyl-β-D-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis,
Phytochemistry, 1995, 40, 1, 149-155, https://doi.org/10.1016/0031-9422(95)00241-X
. [all data]
Rostad and Pereira, 1986
Rostad, C.E.; Pereira, W.E.,
Kovats and Lee retention indices determined by gas chromatography/mass spectrometry for organic compounds of environmental interest,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 6, 328-334, https://doi.org/10.1002/jhrc.1240090603
. [all data]
Hendriks and Bruins, 1983
Hendriks, H.; Bruins, A.P.,
A tentative identification of components in the essential oil of Cannabis sativa L. by a combination of gas chromatography negative ion chemical ionization mass spectrometry and retention indices,
Biomed. Mass Spectrom., 1983, 10, 6, 377-381, https://doi.org/10.1002/bms.1200100607
. [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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