1-Heptanol
- Formula: C7H16O
- Molecular weight: 116.2013
- 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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Van Den Dool and Kratz RI, 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-Wax | ZB-Wax | DB-Wax | CP-Wax 52CB | OV-351 |
Column length (m) | 30. | 30. | 30. | 60. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.25 | 0.25 | 0.2 |
Tstart (C) | 40. | 40. | 50. | 35. | 60. |
Tend (C) | 250. | 250. | 230. | 203. | 220. |
Heat rate (K/min) | 4. | 5. | 10. | 3. | 5. |
Initial hold (min) | 5. | 2. | 5. | 4. | |
Final hold (min) | 15. | 5. | 25. | ||
I | 1465. | 1462. | 1447. | 1446. | 1439. |
Reference | Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007 | Wu, Zorn, et al., 2007 | Fernandez-Segovia, Escriche, et al., 2006 | Alasalvar, Taylor, et al., 2005 | Bonvehí, 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | Innowax | OV-351 | ZB-Wax | Supelcowax-10 |
Column length (m) | 60. | 30. | 50. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
Tstart (C) | 40. | 40. | 60. | 40. | 35. |
Tend (C) | 280. | 200. | 220. | 220. | 195. |
Heat rate (K/min) | 4. | 5. | 5. | 3. | 2. |
Initial hold (min) | 2. | 5. | 5. | ||
Final hold (min) | 2. | 90. | |||
I | 1452. | 1459. | 1439. | 1439. | 1456. |
Reference | Elmore, Nisyrios, et al., 2005 | Pena, Barciela, et al., 2005 | Bonvehi and Coll, 2003 | Brunton, Cronin, et al., 2002 | Chung, Yung, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax-10 | AT-Wax | DB-Wax | CP-Wax 52CB | CP-Wax 52CB |
Column length (m) | 60. | 60. | 30. | 50. | 50. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.2 | |
Tstart (C) | 35. | 65. | 60. | 60. | 30. |
Tend (C) | 195. | 250. | 245. | 220. | 220. |
Heat rate (K/min) | 2. | 2. | 3. | 4. | 2. |
Initial hold (min) | 5. | 10. | 3. | 5. | 1.3 |
Final hold (min) | 90. | 60. | 20. | 30. | |
I | 1456. | 1443. | 1457. | 1460. | 1439. |
Reference | Chung, Yung, et al., 2001 | Pino, Marbot, et al., 2001 | Wirth, Guo, et al., 2001 | Chevance, Farmer, et al., 2000 | Jensen, Christensen, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | CP-Wax 52CB | Supelcowax-10 | DB-Wax | Carbowax 20M |
Column length (m) | 60. | 50. | 60. | 30. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.5 | 0.25 | 0.5 | 0.425 | |
Tstart (C) | 40. | 60. | 35. | 40. | 45. |
Tend (C) | 250. | 220. | 195. | 245. | 300. |
Heat rate (K/min) | 4. | 4. | 2. | 3. | 3. |
Initial hold (min) | 2. | 5. | 5. | 3. | 3. |
Final hold (min) | 10. | 30. | 90. | 20. | 20. |
I | 1470. | 1450. | 1457. | 1421. | 1440. |
Reference | Le Guen, Prost, et al., 2000 | Chevance and Farmer, 1999 | Chung, 1999 | Ollé, Baumes, et al., 1998 | Mondello, Dugo, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Packed | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | Carbowax 20M | Carbowax 20M | DB-Wax |
Column length (m) | 60. | 60. | 3.05 | 3.05 | 30. |
Carrier gas | He | He | He | ||
Substrate | Supelcoport | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 50. | 40. | 40. | 40. | 40. |
Tend (C) | 230. | 195. | 200. | 200. | 220. |
Heat rate (K/min) | 2. | 2. | 8. | 8. | 5. |
Initial hold (min) | 5. | 4. | 3. | ||
Final hold (min) | 40. | 60. | |||
I | 1440. | 1455. | 1440. | 1440. | 1458. |
Reference | Shimoda, Shigematsu, et al., 1995 | Chung and Cadwallader, 1993 | Peng, 1992 | Peng, Yang, et al., 1991 | Frohlich and Schreier, 1990 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | CP-WAX 57CB | Supelcowax-10 | Supelcowax-10 | PEG-20M |
Column length (m) | 30. | 50. | 60. | 60. | 25. |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.26 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 | |
Tstart (C) | 40. | 60. | 40. | 40. | 100. |
Tend (C) | 240. | 200. | 175. | 175. | 200. |
Heat rate (K/min) | 4. | 4. | 2. | 2. | 2. |
Initial hold (min) | 3. | 5. | 5. | 5. | |
Final hold (min) | 20. | 20. | |||
I | 1441. | 1460. | 1462. | 1463. | 1445.7 |
Reference | Schwab, Mahr, et al., 1989 | Salter L.J., Mottram D.S., et al., 1988 | Vejaphan, Hsieh, et al., 1988 | Vejaphan, Hsieh, et al., 1988 | Wang and Sun, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | PEG-20M | PEG-20M | PEG-20M | PEG-20M |
Column length (m) | 25. | 25. | 62. | 62. | 62. |
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.26 | 0.26 | 0.27 | 0.27 | 0.27 |
Phase thickness (μm) | 0.3 | 0.3 | |||
Tstart (C) | 60. | 60. | 100. | 70. | 70. |
Tend (C) | 200. | 200. | |||
Heat rate (K/min) | 2. | 8. | 2. | 3. | 4. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1452.9 | 1450.3 | 1447.4 | 1449.8 | 1449.3 |
Reference | Wang and Sun, 1987 | Wang and Sun, 1987 | Wang and Sun, 1985 | Wang and Sun, 1985 | Wang and Sun, 1985 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | PEG-20M | PEG-20M | Carbowax 20M |
Column length (m) | 62. | 62. | |
Carrier gas | |||
Substrate | Celite 545 | ||
Column diameter (mm) | 0.27 | 0.27 | |
Phase thickness (μm) | |||
Tstart (C) | 80. | 90. | 75. |
Tend (C) | 228. | ||
Heat rate (K/min) | 2. | 2. | 4.6 |
Initial hold (min) | |||
Final hold (min) | |||
I | 1449.2 | 1448.4 | 1424. |
Reference | Wang and Sun, 1985 | Wang and Sun, 1985 | van den Dool and Kratz, 1963 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, 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.
Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007
Pozo-Bayon M.A.; Ruiz-Rodriguez A.; Pernin K.; Cayot N.,
Influence of eggs on the aroma composition of a sponge cake and on the aroma release in model studies on flavored sponge cakes,
J. Agric. Food Chem., 2007, 55, 4, 1418-1426, https://doi.org/10.1021/jf062203y
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Wu, Zorn, et al., 2007
Wu, S.; Zorn, H.; Krings, U.; Berger, R.G.,
Volatiles from submerged and surface-cultured beefsteak fungus, Fistulina hepatica,
Flavour Fragr. J., 2007, 22, 1, 53-60, https://doi.org/10.1002/ffj.1758
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Fernandez-Segovia, Escriche, et al., 2006
Fernandez-Segovia, I.; Escriche, I.; Gomez-Sintes, M.; Fuentes, A.; Serra, J.A.,
In?uence of di?erent preservation treatments on the volatile fraction of desalted cod,
Food Chem., 2006, 98, 3, 473-482, https://doi.org/10.1016/j.foodchem.2005.06.021
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Alasalvar, Taylor, et al., 2005
Alasalvar, C.; Taylor, K.D.A.; Shahidi, F.,
Comparison of volatiles of cultured and wild sea bream (Sparus aurata) during storage in ice by dynamic headspace analysis/gas chromatography-mass spectrometry,
J. Agric. Food Chem., 2005, 53, 7, 2616-2622, https://doi.org/10.1021/jf0483826
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Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
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Elmore, Nisyrios, et al., 2005
Elmore, J.S.; Nisyrios, I.; Mottram, D.S.,
Analysis of the headspace aroma compounds of walnuts (Juglans regia L.),
Flavour Fragr. J., 2005, 20, 5, 501-506, https://doi.org/10.1002/ffj.1477
. [all data]
Pena, Barciela, et al., 2005
Pena, R.M.; Barciela, J.; Herrero, C.; Garcia-Martin, S.,
Optimization of solid-phase microextraction methods for GC-MS determination of terpenes in wine,
J. Sci. Food Agric., 2005, 85, 7, 1227-1234, https://doi.org/10.1002/jsfa.2121
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Bonvehi and Coll, 2003
Bonvehi, J.S.; Coll, F.V.,
Flavour index and aroma profiles of fresh and processed honeys,
J. Sci. Food Agric., 2003, 83, 4, 275-282, https://doi.org/10.1002/jsfa.1308
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Brunton, Cronin, et al., 2002
Brunton, N.P.; Cronin, D.A.; Monahan, F.J.,
Volatile components associated with freshly cooked and oxidized off-flavours in turkey breast meat,
Flavour Fragr. J., 2002, 17, 5, 327-334, https://doi.org/10.1002/ffj.1087
. [all data]
Chung, Yung, et al., 2002
Chung, H.-Y.; Yung, I.K.S.; Ma, W.C.J.; Kim, J.-S.,
Analysis of volatile components in frozen and dried scallops (Patinopecten yessoensis) by gas chromatography/mass spectrometry,
Food Res. Int., 2002, 35, 1, 43-53, https://doi.org/10.1016/S0963-9969(01)00107-7
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Chung, Yung, et al., 2001
Chung, H.Y.; Yung, I.K.S.; Kim, J.-S.,
Comparison of volatile components in dried scallops (Chlamys farreri and Patinopecten yessoensis) prepared by boiling and steaming methods,
J. Agric. Food Chem., 2001, 49, 1, 192-202, https://doi.org/10.1021/jf000692a
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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]
Wirth, Guo, et al., 2001
Wirth, J.; Guo, W.; Baumes, R.; Günata, Z.,
Volatile compounds released by enzymatic hydrolysis of glycoconjugates of leaves and grape berries from Vitis vinifera muscat of Alexandria and Shiraz cultivars,
J. Agric. Food Chem., 2001, 49, 6, 2917-2923, https://doi.org/10.1021/jf001398l
. [all data]
Chevance, Farmer, et al., 2000
Chevance, F.F.V.; Farmer, L.J.; Desmond, E.M.; Novelli, E.; Troy, D.J.; Chizzolini, R.,
Effect of some fat replacers on the release of volatile aroma compounds from low-fat meat products,
J. Agric. Food Chem., 2000, 48, 8, 3476-3484, https://doi.org/10.1021/jf991211u
. [all data]
Jensen, Christensen, et al., 2000
Jensen, K.; Christensen, L.P.; Hansen, M.; Jørgensen, U.; Kaack, K.,
Olfactory and quantitative analysis of volatiles in elderberry (Sambucus nigra L) juice processed from seven cultivars,
J. Sci. Food Agric., 2000, 81, 2, 237-244, https://doi.org/10.1002/1097-0010(20010115)81:2<237::AID-JSFA809>3.0.CO;2-H
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Le Guen, Prost, et al., 2000
Le Guen, S.; Prost, C.; Demaimay, M.,
Characterization of odorant compounds of mussels (Mytilus edulis) according to their origin using gas chromatography-olfactometry and gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 896, 1-2, 361-371, https://doi.org/10.1016/S0021-9673(00)00729-9
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Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Identification of major volatile odor compounds in frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5151-5160, https://doi.org/10.1021/jf990515d
. [all data]
Chung, 1999
Chung, H.Y.,
Volatile components in fermented soybean (Glycine max) curds,
J. Agric. Food Chem., 1999, 47, 7, 2690-2696, https://doi.org/10.1021/jf981166a
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Ollé, Baumes, et al., 1998
Ollé, D.; Baumes, R.L.; Bayonove, C.L.; Lozano, Y.F.; Sznaper, C.; Brillouet, J.-M.,
Comparison of free and glycosidically linked volatile components from polyembryonic and monoembryonic mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 1998, 46, 3, 1094-1100, https://doi.org/10.1021/jf9705781
. [all data]
Mondello, Dugo, et al., 1995
Mondello, L.; Dugo, P.; Basile, A.; Dugo, G.,
Interactive use of linear retention indices, on polar and apolar columns, with a MS-library for reliable identification of complex mixtures,
J. Microcolumn Sep., 1995, 7, 6, 581-591, https://doi.org/10.1002/mcs.1220070605
. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of volatile compounds among different grades of green tea and their relations to odor attributes,
J. Agric. Food Chem., 1995, 43, 6, 1621-1625, https://doi.org/10.1021/jf00054a038
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Chung and Cadwallader, 1993
Chung, H.Y.; Cadwallader, K.R.,
Volatile components in blue crab (Callinectes sapidus) meat and processing by-product,
J. Food Sci., 1993, 58, 6, 1203-1207, https://doi.org/10.1111/j.1365-2621.1993.tb06148.x
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Peng, 1992
Peng, C.T.,
A method for tentative identificatoin of unknown gas chromatographic peaks by retention index,
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Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Maltby, D.,
Prediction of retention indexes. III. Silylated derivatives of polar compounds,
J. Chromatogr., 1991, 586, 1, 113-129, https://doi.org/10.1016/0021-9673(91)80029-G
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Frohlich and Schreier, 1990
Frohlich, O.; Schreier, P.,
Volatile Constituents of Loquat (Eriobotrya japonica Lindl.) Fruit,
J. Food Sci., 1990, 55, 1, 176-180, https://doi.org/10.1111/j.1365-2621.1990.tb06046.x
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Schwab, Mahr, et al., 1989
Schwab, W.; Mahr, C.; Schreier, P.,
Studies on the enzymic hydrolysis of bound aroma components from Carica papaya fruit,
J. Agric. Food Chem., 1989, 37, 4, 1009-1012, https://doi.org/10.1021/jf00088a042
. [all data]
Salter L.J., Mottram D.S., et al., 1988
Salter L.J.; Mottram D.S.; Whitfield,
Volatile compounds produces in Maillard reactions involving glycine, ribose and phospholid,
J. Sci. Food Agric., 1988, 46, 2, 227-242, https://doi.org/10.1002/jsfa.2740460211
. [all data]
Vejaphan, Hsieh, et al., 1988
Vejaphan, W.; Hsieh, T.C.Y.; Williams, S.S.,
Volatile flavor components from boiled crayfish (Procambarus clarkii) tail meat,
J. Food Sci., 1988, 53, 6, 1666-1670, https://doi.org/10.1111/j.1365-2621.1988.tb07811.x
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Wang and Sun, 1987
Wang, T.; Sun, Y.,
On the influence of the solute sample size on temperature-programmed retention indices,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 11, 603-606, https://doi.org/10.1002/jhrc.1240101105
. [all data]
Wang and Sun, 1985
Wang, T.; Sun, Y.,
Correlation of Retention Indices obtained with Two Temperature Programmes,
J. Chromatogr., 1985, 330, 167-171, https://doi.org/10.1016/S0021-9673(01)81973-7
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, 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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