Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- 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:
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 | DB-1 | HP-5 | DB-1 | HP-5MS | SPB-5 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | N2 | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 30. | 60. | 40. |
Tend (C) | 250. | 220. | 210. | 285. | 220. |
Heat rate (K/min) | 8. | 5. | 5. | 4.3 | 5. |
Initial hold (min) | 10. | 1. | |||
Final hold (min) | 20. | ||||
I | 954. | 970. | 957. | 969. | 973. |
Reference | Misharina T., 2011 | Flamini, Tebano, et al., 2008 | Kumazawa, Itobe, et al., 2008 | Tesevic, Nikicevic, et al., 2005 | Ledauphin, Guichard, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SPB-1 | OV-101 | OV-101 | Ultra-2 |
Column length (m) | 30. | 30. | 10. | 50. | 50. |
Carrier gas | Helium | He | N2 | He | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.52 | |||
Tstart (C) | 70. | 40. | 35. | 80. | 40. |
Tend (C) | 210. | 200. | 225. | 200. | 250. |
Heat rate (K/min) | 2. | 3. | 6. | 2. | 4. |
Initial hold (min) | 10. | 5. | 3. | ||
Final hold (min) | 60. | 30. | |||
I | 968. | 962. | 949. | 949. | 976. |
Reference | Mookdasanit, Tamura, et al., 2003 | Vichi, Pizzale, et al., 2003 | Bloss, Acree, et al., 2002 | Yang, 2001 | King, Matthews, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 | OV-101 | HG-5 |
Column length (m) | 50. | 50. | 50. | 50. | 50. |
Carrier gas | N2 | N2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.52 | ||||
Tstart (C) | 80. | 80. | 80. | 80. | 35. |
Tend (C) | 200. | 200. | 200. | 200. | 250. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 3. |
Initial hold (min) | 15. | ||||
Final hold (min) | 45. | ||||
I | 945. | 945. | 949. | 950. | 973. |
Reference | Tamura, Nakamoto, et al., 1995 | Tamura, Nakamoto, et al., 1995 | Tamura, Yang, et al., 1993 | Tamura, Yang, et al., 1993 | Drumm and Spanier, 1991 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | OV-101 | OV-101 | SP 2100 |
Column length (m) | 50. | 50. | 40. |
Carrier gas | N2 | N2 | Helium |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.20 |
Phase thickness (μm) | |||
Tstart (C) | 80. | 80. | 40. |
Tend (C) | 200. | 200. | 200. |
Heat rate (K/min) | 2. | 2. | 10. |
Initial hold (min) | |||
Final hold (min) | |||
I | 950. | 950. | 956. |
Reference | Sugisawa, Yang, et al., 1989 | Sugisawa, Yang, et al., 1989 | Labropoulos, Palmer, et al., 1982 |
Comment | 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.
Misharina T., 2011
Misharina T.,
Headspace analysis of aroma compounds using porous adsorbents,
Chemistry Chem. Technol., 2011, 5, 3, 347-354. [all data]
Flamini, Tebano, et al., 2008
Flamini, G.; Tebano, M.; Cioni, P.L.,
Composition of the essential oils from leafy parts of the shoots, flowers and fruits of Eryngium amethystinum from Amiata Mount (Tuscany, Italy),
Food Chem., 2008, 107, 2, 671-674, https://doi.org/10.1016/j.foodchem.2007.08.064
. [all data]
Kumazawa, Itobe, et al., 2008
Kumazawa, K.; Itobe, T.; Nishimura, O.; Hamaguchi, T.,
A new approach to estimate the in-mouth release characteristics of odorants in chewing gum,
Food Science and Technology Research, 2008, 14, 3, 269-276, https://doi.org/10.3136/fstr.14.269
. [all data]
Tesevic, Nikicevic, et al., 2005
Tesevic, V.; Nikicevic, N.; Jovanovic, A.; Djokovic, D.; Vujisic, L.; Vuckovic, I.; Bonic, M.,
Volatile components from old plum brandies,
Food Technol. Biotechnol., 2005, 43, 4, 367-372. [all data]
Ledauphin, Guichard, et al., 2003
Ledauphin, J.; Guichard, H.; Saint-Clair, J.-F.; Picoche, B.; Barillier, D.,
Chemical and sensorial aroma characterization of freshly distilled calvados. 2. Identification of volatile compounds and key odorants,
J. Agric. Food Chem., 2003, 51, 2, 433-442, https://doi.org/10.1021/jf020373e
. [all data]
Mookdasanit, Tamura, et al., 2003
Mookdasanit, J.; Tamura, H.; Yoshizawa T.; Tokunaga T.; Nakanishi, K.,
Trace Volatile Compounds in Essential Oil of Citrus Sudachi by Means of Modified Solvent Extraction Method,
Food Sci Technol. Res., 2003, 9, 1, 54-61, https://doi.org/10.3136/fstr.9.54
. [all data]
Vichi, Pizzale, et al., 2003
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Solid-phase microextraction in the analysis of virgin olive oil volatile fraction: characterization of virgin olive oils from two distinct geographical areas of Northern Italy,
J. Agric. Food Chem., 2003, 51, 22, 6572-6577, https://doi.org/10.1021/jf030269c
. [all data]
Bloss, Acree, et al., 2002
Bloss, J.; Acree, T.E.; Bloss, J.M.; Hood, W.R.; Kunz, T.H.,
Potential use of chemical cues for colony-mate recognition in the big brown bat, Eptesicus fuscus,
J. Chem. Ecol., 2002, 28, 4, 819-834, https://doi.org/10.1023/A:1015296928423
. [all data]
Yang, 2001
Yang, R.,
Volatile compounds in peel oil of Citrus sudachi,
Food Sci. (Beijing), 2001, 22, 3, 71-73. [all data]
King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking,
J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039
. [all data]
Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H.,
Characteristic aroma compounds in green algae (Ulva pertusa) volatiles,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887
. [all data]
Tamura, Yang, et al., 1993
Tamura, H.; Yang, R.-H.; Sugisawa, H.,
Aroma profiles of peel oils of acid citrus,
ACS Sym. Ser., 1993, 525, 121-136. [all data]
Drumm and Spanier, 1991
Drumm, T.D.; Spanier, A.M.,
Changes in the content of lipid autoxidation and sulfur-containing compounds in cooked beef during storage,
J. Agric. Food Chem., 1991, 39, 2, 336-343, https://doi.org/10.1021/jf00002a023
. [all data]
Sugisawa, Yang, et al., 1989
Sugisawa, H.; Yang, R.H.; Kawabata, C.; Tamura, H.,
Volatile constituents in the peel oil of sudachi (Citrus sudachi),
Agric. Biol. Chem., 1989, 53, 6, 1721-1723, https://doi.org/10.1271/bbb1961.53.1721
. [all data]
Labropoulos, Palmer, et al., 1982
Labropoulos, A.E.; Palmer, J.K.; Tao, P.,
Flavor evaluation and characterization of yogurt as affected by ultra-high temperature and vat processes,
J. Dairy Sci., 1982, 65, 2, 191-196, https://doi.org/10.3168/jds.S0022-0302(82)82176-0
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.