1-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: 111-70-6
- 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: Heptyl alcohol; n-Heptan-1-ol; n-Heptanol; n-Heptyl alcohol; Enanthic alcohol; Gentanol; 1-Hydroxyheptane; n-C7H15OH; Heptan-1-ol; Heptane-1-ol; Heptyl alcohol, n-; n-Heptanol-1; l'Alcool n-heptylique primaire; Alcohol C7; Enanthyl alcohol; 1-Heptyl alcohol; Heptanol-1; NSC 3703; 1-HeptanoI
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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 | VF-5 MS | VF-5 MS | VF-5 MS | HP-5 MS |
| Column length (m) | 30. | 60. | 60. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 35. | 30. | 30. | 40. | 70. |
| Tend (C) | 300. | 260. | 260. | 250. | 290. |
| Heat rate (K/min) | 3. | 2. | 2. | 5. | 5. |
| Initial hold (min) | 5. | 3. | |||
| Final hold (min) | 15. | 28. | 28. | 3. | 10. |
| I | 969. | 973. | 977. | 975. | 967. |
| Reference | Kotowska, Zalikowski, et al., 2012 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Liu, Lu, et al., 2011 | Radulovic, Blagojevic, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RTX-5 | SPB-5 | HP-1 | DB-5 | MDN-5 |
| Column length (m) | 10. | 60. | 50. | 30. | 60. |
| Carrier gas | He | He | N2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.18 | 0.32 | 0.2 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.2 | 1. | 0.5 | 1. | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 40. | 40. |
| Tend (C) | 275. | 230. | 250. | 230. | 270. |
| Heat rate (K/min) | 50. | 3. | 2. | 6. | 4. |
| Initial hold (min) | 0.5 | 5. | 2. | 4. | |
| Final hold (min) | 0.5 | 5. | 120. | 15. | 5. |
| I | 976. | 970. | 953. | 989. | 971. |
| Reference | Setkova, Risticevic, et al., 2007 | Vasta, Ratel, et al., 2007 | Castel, Fernandez, et al., 2006 | Fan and Qian, 2006 | van Loon, Linssen, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | HP-5 | DB-5 | MDN-5 | SPB-5 |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | He | Helium | He | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 35. | 40. | 60. |
| Tend (C) | 250. | 250. | 280. | 280. | 250. |
| Heat rate (K/min) | 4. | 5. | 5. | 20. | 4. |
| Initial hold (min) | 2. | 2. | 2. | 1. | 2. |
| Final hold (min) | 20. | 5. | 4. | 1. | 20. |
| I | 969. | 971. | 970. | 974. | 969. |
| Reference | Pino, Marbot, et al., 2005 | N/A | Dhanda, Pegg, et al., 2003 | Mildner-Szkudlarz, Jelen, et al., 2003 | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | RSL-200 | SE-30 | HP-5 | OV-101 | Ultra-2 |
| Column length (m) | 60. | 30. | 50. | 50. | 50. |
| Carrier gas | H2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.22 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.52 | 0.52 | ||
| Tstart (C) | 40. | 50. | 35. | 80. | 40. |
| Tend (C) | 250. | 300. | 250. | 200. | 250. |
| Heat rate (K/min) | 6. | 10. | 2. | 2. | 4. |
| Initial hold (min) | 15. | 3. | |||
| Final hold (min) | 4. | 45. | 30. | ||
| I | 952. | 951. | 972. | 957. | 978. |
| Reference | Jirovetz, Puschmann, et al., 2000 | Zhou, Robards, et al., 2000 | Boylston and Viniyard, 1998 | Egolf and Jurs, 1993 | King, Hamilton, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | OV-101 | HP-1 | HP-1 | HP-1 |
| Column length (m) | 60. | 50. | 12. | 12. | 12. |
| Carrier gas | |||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.28 | 0.2 | 0.2 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.33 | 0.33 | |
| Tstart (C) | 40. | 80. | 40. | 40. | 40. |
| Tend (C) | 250. | 200. | |||
| Heat rate (K/min) | 2. | 2. | 16. | 4. | 8. |
| Initial hold (min) | 5. | 0.395 | 0.4 | 0.801 | |
| Final hold (min) | |||||
| I | 972. | 957. | 952.2 | 952.0 | 952.4 |
| Reference | Lee, Macku, et al., 1991 | Anker, Jurs, et al., 1990 | Yin and Sun, 1990 | Yin and Sun, 1990 | Yin and Sun, 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-1 | OV-101 | DB-1 | DB-1 |
| Column length (m) | 25. | 50. | 50. | 50. | 50. |
| Carrier gas | N2 | ||||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.52 | 0.11 | |||
| Tstart (C) | 40. | 40. | 80. | 0. | 50. |
| Tend (C) | 200. | 250. | 250. | ||
| Heat rate (K/min) | 8. | 6. | 2. | 3. | 3. |
| Initial hold (min) | 0.8 | 3.194 | |||
| Final hold (min) | |||||
| I | 952.9 | 956.4 | 951. | 955. | 953. |
| Reference | Yin and Sun, 1990 | Yin and Sun, 1990 | Sugisawa, Yamamoto, et al., 1989 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-1 | SE-30 |
| Column length (m) | 60. | 50. |
| Carrier gas | ||
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.5 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 40. |
| Tend (C) | 250. | 170. |
| Heat rate (K/min) | 4. | 3. |
| Initial hold (min) | 0.1 | 3. |
| Final hold (min) | 5. | |
| I | 951. | 960. |
| Reference | Flath, Mon, et al., 1983 | Heydanek and McGorrin, 1981 |
| Comment | 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.
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
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Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Liu, Lu, et al., 2011
Liu, S.; Lu, S.; Su, Y.; Guo, Y.,
Analysis of volatile compounds in Radix Bupleuri injection by GC-MS-MS,
Chromatographia, 2011, 74, 5-6, 497-502, https://doi.org/10.1007/s10337-011-2082-7
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Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
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Setkova, Risticevic, et al., 2007
Setkova, L.; Risticevic, S.; Pawliszyn, J.,
Rapid headspace solid-phase microextraction-gas chromatographic?time-of-flight mass spectrometric method for qualitative profiling of ice wine volatile fraction II: Classification of Canadian and Czech ice wines using statistical evaluation of the data,
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Vasta, Ratel, et al., 2007
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Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
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Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
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Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
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van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J.,
Identification and olfactometry of French fries flavour extracted at mouth conditions,
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Pino, Marbot, et al., 2005
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of genipap (Genipa americana L.) fruit from Cuba,
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Dhanda, Pegg, et al., 2003
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Saskatchewan specialty livestock value-added program - Saskatchewan agri-food innovation fund (AFIF) Project #98000016, 2003, retrieved from http://www.agr.gov.sk.ca/afif/Projects/19980016.pdf. [all data]
Mildner-Szkudlarz, Jelen, et al., 2003
Mildner-Szkudlarz, S.; Jelen, H.H.; Zawirska-Wojtasiak, R.; Wasowicz, E.,
Application of headspace - solid phase microextraction and multivariate analysis for plant oils differentiation,
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Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
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Jirovetz, Puschmann, et al., 2000
Jirovetz, L.; Puschmann, C.; Stojanova, A.; Metodiev, S.; Buchbauer, G.,
Analysis of the essential oil volatiles of Douglas fir (Pseudotsuga menziesii) from Bulgaria,
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Zhou, Robards, et al., 2000
Zhou, M.; Robards, K.; Glennie-Holmes, M.; Helliwell, S.,
Contribution of volatiles to the flavour of oatmeal,
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Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
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Lee, S.-R.; Macku, C.; Shibamoto, T.,
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Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A.,
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Volatile components of Rooibos tea (Aspalathus linearis),
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Flath, Mon, et al., 1983
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Heydanek, M.G.; McGorrin, R.J.,
Gas chromatography-mass spectroscopy identification of volatiles from rancid oat groats,
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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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