Heptanal
- Formula: C7H14O
- Molecular weight: 114.1855
- IUPAC Standard InChIKey: FXHGMKSSBGDXIY-UHFFFAOYSA-N
- CAS Registry Number: 111-71-7
- 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. - Other names: n-Heptaldehyde; n-Heptanal; n-Heptylaldehyde; Enanthal; Enanthaldehyde; Enanthic aldehyde; Enanthole; Heptaldehyde; Heptanaldehyde; Heptyl aldehyde; Oenanthal; Oenanthaldehyde; Oenanthic aldehyde; Oenanthol; n-C6H13CHO; 1-Heptanal; 1-Heptaldehyde; Heptan-1-al; NSC 2190
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Normal alkane 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 | HP-Innowax | DB-Wax | Innowax | Supelko CO Wax |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.25 | 0.25 | 0.50 | 0.33 | 0.25 |
Program | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | not specified | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | not specified | |
I | 1182. | 1175. | 1208. | 1195. | 1191. |
Reference | Gyawali and Kim, 2012 | Feng, Zhuang, et al., 2011 | Miyazaki, Plotto, et al., 2011 | Noorizadeh, Farmany, et al., 2011 | Vekiari, Orepoulou, et al., 2010 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelko CO Wax | Supelko CO Wax | DB-Wax | DB-Wax | CP-Wax 52 CB |
Column length (m) | 60. | 60. | 60. | 30. | 60. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (5 min) 4 0C/min -> 75 0C 5 0C/min -> 250 0C (10 min) | not specified | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) | not specified | 45 0C (5 min) 3 0C/min -> 150 0C 10 0C/min -> 240 0C |
I | 1207. | 1194. | 1184. | 1174. | 1188. |
Reference | Vekiari, Orepoulou, et al., 2010 | Vekiari, Orepoulou, et al., 2010 | Gyawali and Kim, 2009 | Rochat, Egger, et al., 2009 | Romeo, Verzera, et al., 2009 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 52 CB | PEG 20M | Supelcowax-10 | Supelcowax-10 | HP-FFAP |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.29 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 33 0C (1 min) 2 0C/min -> 130 0C 10 0C/min -> 220 0C | 40 0C (3 min) 5 0C/min -> 60 0C 6 0C/min -> 130 0C 10 0C/min -> 230 0C | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min) | 35 0C (10 min) 10 0C/min -> 150 0C 20 0C/min -> 250 0C (10 min) |
I | 1167. | 1174. | 1186. | 1191. | 1200. |
Reference | Kaack and Christensen, 2008 | Zhang, Zhang, et al., 2008 | Berard, Bianchi, et al., 2007 | Berard, Bianchi, et al., 2007 | Carrapiso and Garsia, 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Carbowax 20M | BP-20 | BP-20 | Supelcowax-10 | PEG-20M |
Column length (m) | 30. | 30. | 30. | 30. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C | 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) | 40C(3min) => 5C/min => 60C => 6C/min => 130C => 10C/min => 230C (10min) |
I | 1175. | 1178. | 1178. | 1190. | 1174. |
Reference | Dury-Brun, Fournier, et al., 2007 | Pontes, Marques, et al., 2007 | Pontes, Marques, et al., 2007 | Vichi, Guadayol, et al., 2007 | Zhang C., Zhang H., et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax FSC | Innowax FSC | Innowax FSC | DB-Wax | HP-Innowax |
Column length (m) | 60. | 60. | 60. | 30. | 60. |
Carrier gas | He | He | He | He | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C | 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min) | 50 0C (4 min) -> 40 0C 4 0C/min -> 220 0C |
I | 1194. | 1194. | 1194. | 1170. | 1165. |
Reference | Baser K.H.C., Ozek G., et al., 2006 | Baser, Özek, et al., 2006 | Baser, Özek, et al., 2006 | Krings, Zelena, et al., 2006 | Quijano and Pino, 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax FSC | Carbowax 20M | Carbowax 20M | DB-Wax | Innowax FSC |
Column length (m) | 60. | 60. | 60. | ||
Carrier gas | N2 | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Program | 60C(10min) => 4C/min => 220C => (10min) => 1C/min => 240C | not specified | not specified | 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1194. | 1176. | 1183. | 1184. | 1194. |
Reference | Tabanca, Demirci, et al., 2006 | Editorial paper, 2005 | Editorial paper, 2005 | Mattheis, Fan, et al., 2005 | Baser, Özek, et al., 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Innowax | Carbowax 20M | Carbowax 20M | HP-Innowax FSC | HP-Innowax FSC |
Column length (m) | 60. | 60. | |||
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | |||
Phase thickness (μm) | 0.25 | 0.25 | |||
Program | not specified | not specified | not specified | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1200. | 1184. | 1186. | 1194. | 1194. |
Reference | Junkes, Amboni, et al., 2004 | Vinogradov, 2004 | Vinogradov, 2004 | Demirci, Baser, et al., 2003 | Erdemoglu, Sener, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax | Innowax | Innowax | Innowax | Innowax FSC |
Column length (m) | 60. | 60. | 60. | 60. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
I | 1195. | 1195. | 1195. | 1195. | 1195. |
Reference | Gören, Demirci, et al., 2001 | Özcan, Akgül, et al., 2001 | Baser, Özek, et al., 2000 | Baser, Özek, et al., 2000, 2 | Kirimer, Tabanca, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | CP-Wax 52CB | DB-Wax | Supelcowax 10 | Supelcowax 10 |
Column length (m) | 25. | 50. | 60. | 60. | 60. |
Carrier gas | He | He | Helium | Helium | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | ||
Program | not specified | 30C (1.5min) => 3C/min => 120C => 10C/min => 220C (3.5min) | 45C(4min) => 30C/min => 60C (5min) => 3C/min => 220C(40min) | 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) | not specified |
I | 1156. | 1184. | 1189. | 1177. | 1185. |
Reference | Ding, Deng, et al., 1998 | Jakobsen, Hansen, et al., 1998 | Ziegleder, 1998 | Castioni and Kapetanidis, 1996 | Castioni and Kapetanidis, 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | Supelcowax 10 | Supelcowax-10 | CP Wax 52 CB | CP-Wax 52CB | Stabilwax DA |
Column length (m) | 60. | 30. | 50. | 50. | 15. |
Carrier gas | Helium | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.20 | 1.5 | 0.25 |
Program | not specified | 50C(2min) => 7C/min => 140C => 17.5C/min => 230C | 50 0C (10 min) 2 0C/min -> 100 0C 5 0C/min -> 150 0C 7 0C/min -> 220 0C (20 min) | 40C => 2C/min => 150C => 10C/min => 250C | not specified |
I | 1189. | 1186. | 1177. | 1181. | 1195. |
Reference | Castioni and Kapetanidis, 1996 | Chang, Seitz, et al., 1995 | Patterson and Stevenson, 1995 | Luning, de Rijk, et al., 1994 | Henderson and Henderson, 1992 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 60. | |||
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | |||
Phase thickness (μm) | 0.25 | ||||
Program | 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min) | not specified | not specified | not specified | not specified |
I | 1165. | 1195. | 1182. | 1186. | 1186. |
Reference | Mattheis, Buchanan, et al., 1992 | Peng, Yang, et al., 1991 | Binder and Flath, 1989 | Shibamoto, 1987 | Ramsey and Flanagan, 1982 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
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Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
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Quantitative structure-retention relationships analysis of retention index of essential oils,
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Volatile organic compounds of medicinal values from Nepalese Acorus calamus L.,
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Effect of packing materials and storage time on volatile compounds in tea processes from flowers of black elder (Sambucus nigra L.),
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Composition of the essential oils of six endemic Salvia spp. from Turkey,
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Erdemoglu, Sener, et al., 2003
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The glycosidically bound volatile compounds of Taxus baccata,
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Composition of the essential oils of Tanacetum spp. from Turkey,
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Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
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Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey,
Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L
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Baser, Özek, et al., 2000, 2
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Prangos heyniae H. Duman et M. F. Watson, a new endemic from Turkey,
Flavour Fragr. J., 2000, 15, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
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. [all data]
Ding, Deng, et al., 1998
Ding, Q.; Deng, Y.; Sun, Y.; Huagn, A.; Sun, Y.,
Analysis of volatile components in ox feces by capillary gas chromatography,
Beijing Daxue Xuebao Ziran Kexueban, 1998, 34, 6, 720-725. [all data]
Jakobsen, Hansen, et al., 1998
Jakobsen, H.B.; Hansen, M.; Christensen, M.R.; Brockhoff, P.B.; Olsen, C.E.,
Aroma volatiles of blanched green peas (Pisum sativum L.),
J. Agric. Food Chem., 1998, 46, 9, 3727-3734, https://doi.org/10.1021/jf980026y
. [all data]
Ziegleder, 1998
Ziegleder, G.,
Volatile and odorous compounds in unprinted paperboard,
Packag. Technol. Sci., 1998, 11, 5, 231-239, https://doi.org/10.1002/(SICI)1099-1522(1998090)11:5<231::AID-PTS437>3.0.CO;2-A
. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Chang, Seitz, et al., 1995
Chang, C.-Y.; Seitz, L.M.; Chambers, E., IV,
Volatile Flavor Components of Breads Made from Hard Red Winter Wheat and Hard White Winter Wheat,
Cereal Chem., 1995, 72, 3, 237-242. [all data]
Patterson and Stevenson, 1995
Patterson, R.L.S.; Stevenson, M.H.,
Irradiation-induced off-odor in chicken and its possible control,
British Poultry Science, 1995, 36, 3, 425-441, https://doi.org/10.1080/00071669508417789
. [all data]
Luning, de Rijk, et al., 1994
Luning, P.A.; de Rijk, T.; Wichers, H.J.; Roozen, J.P.,
Gas chromatography, mass spectrometry, and sniffing port analyses of volatile compounds of fresh bell peppers (Capsicum annuum) at different ripening stages,
J. Agric. Food Chem., 1994, 42, 4, 977-983, https://doi.org/10.1021/jf00040a027
. [all data]
Henderson and Henderson, 1992
Henderson, D.E.; Henderson, S.K.,
Thermal decomposition of capsaicin. 1. Interactions with oleic acid at high temperatures,
J. Agric. Food Chem., 1992, 40, 11, 2263-2268, https://doi.org/10.1021/jf00023a042
. [all data]
Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K.,
Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening,
J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [all data]
Shibamoto, 1987
Shibamoto, T.,
Retention Indices in Essential Oil Analysis
in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]
Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J.,
Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse,
J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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