Heptanoic acid
- Formula: C7H14O2
- Molecular weight: 130.1849
- IUPAC Standard InChIKey: MNWFXJYAOYHMED-UHFFFAOYSA-N
- CAS Registry Number: 111-14-8
- 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: Enanthic acid; n-Heptanoic acid; n-Heptoic acid; n-Heptylic acid; Enanthylic acid; Heptoic acid; Heptylic acid; Oenanthic acid; Oenanthylic acid; 1-Hexanecarboxylic acid; Hepthlic acid; Hexacid C-7; 1-Heptanoic acid; NSC 2192
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane 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 | FFAP | VF-Wax MS | CP-Wax | HP-20M | HP-20M |
Column length (m) | 60. | 60. | 60. | 50. | 50. |
Carrier gas | Helium | Helium | Helium | Helium | Helium |
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 |
Tstart (C) | 45. | 60. | 50. | 70. | 70. |
Tend (C) | 220. | 220. | 230. | 180. | 180. |
Heat rate (K/min) | 5. | 3. | 6. | 4. | 4. |
Initial hold (min) | 1. | 5. | 2. | 4. | 4. |
Final hold (min) | 5. | 25. | 15. | ||
I | 1932. | 1962. | 1962. | 1986. | 1988. |
Reference | Piyachaiseth, Jirapakkul, et al., 2011 | Duarte, Dias, et al., 2010 | Mo, Fan, et al., 2009 | Blazevic and Mastelic, 2008 | Blazevic and Mastelic, 2008 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | CP-Wax 57 CB | CP-Wax 52CB | RTX-Wax | BP-20 | BP-20 |
Column length (m) | 50. | 30. | 30. | 30. | 30. |
Carrier gas | Hydrogen | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.20 | 0.32 | 0.5 | 0.25 | 0.25 |
Tstart (C) | 35. | 50. | 40. | 70. | 70. |
Tend (C) | 150. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 4. | 6. | 10. | 4. | 4. |
Initial hold (min) | 5. | 2. | 5. | 4. | 4. |
Final hold (min) | 17.5 | 20. | 10. | 5. | 5. |
I | 1927. | 1949. | 1934. | 1970. | 1968. |
Reference | Callejon, Morales, et al., 2008 | Audino, Alzogaray, et al., 2007 | Prososki, Etzel, et al., 2007 | Rawat, Gulati, et al., 2007 | Rawat, Gulati, et al., 2007 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | ZB-Wax | DB-Wax | Stabilwax DA |
Column length (m) | 30. | 30. | 60. | 30. | 60. |
Carrier gas | He | N2 | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.5 |
Tstart (C) | 40. | 40. | 40. | 40. | 40. |
Tend (C) | 230. | 230. | 250. | 230. | 180. |
Heat rate (K/min) | 4. | 6. | 3. | 4. | 5. |
Initial hold (min) | 2. | 2. | 2. | 2. | 5. |
Final hold (min) | 15. | 15. | 10. | 5. | |
I | 1955. | 1976. | 1972. | 1962. | 2000. |
Reference | Fan and Qian, 2006 | Fan and Qian, 2006, 2 | Wierda R.L., Fletcher G., et al., 2006 | Fan and Qian, 2005 | Nogueira, Lubachevsky, et al., 2005 |
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 | TC-Wax | Innowax |
Column length (m) | 60. | 60. | 30. | 60. | 60. |
Carrier gas | N2 | 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 | |||
Tstart (C) | 70. | 60. | 50. | 80. | 60. |
Tend (C) | 230. | 220. | 230. | 250. | 220. |
Heat rate (K/min) | 2. | 2. | 3. | 4. | 4. |
Initial hold (min) | 2. | 4. | 2. | 10. | |
Final hold (min) | 20. | 20. | 30. | 10. | |
I | 1963. | 1952. | 1957. | 1957. | 1981. |
Reference | Choi, 2004 | Jiang and Kubota, 2004 | Lin, Cai, et al., 2003 | Miyazawa and Okuno, 2003 | Suleimenov, Atazharova, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Supelcowax-10 | FFAP | HP-FFAP | TC-Wax |
Column length (m) | 30. | 30. | 30. | 25. | 60. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 1. | 0.52 | 0.25 |
Tstart (C) | 30. | 40. | 35. | 60. | 40. |
Tend (C) | 250. | 200. | 240. | 240. | 230. |
Heat rate (K/min) | 4. | 3. | 5. | 5. | 3. |
Initial hold (min) | 1. | 10. | 3. | 1. | 10. |
Final hold (min) | 5. | 10. | |||
I | 1958. | 1962. | 1904. | 1900. | 1941. |
Reference | Tanaka, Yamauchi, et al., 2003 | Vichi, Castellote, et al., 2003 | Lecanu, Ducruet, et al., 2002 | Qian and Reineccius, 2002 | Suhardi, Suzuki, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | TC-Wax | DB-Wax | DB-Wax | DB-Wax | DB-Wax |
Column length (m) | 60. | 60. | 30. | 30. | 30. |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.53 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
Tstart (C) | 80. | 30. | 50. | 50. | 60. |
Tend (C) | 250. | 170. | 240. | 240. | 210. |
Heat rate (K/min) | 4. | 2. | 4. | 4. | 4. |
Initial hold (min) | 4. | 3. | 3. | ||
Final hold (min) | 47. | 30. | 10. | 10. | |
I | 1950. | 1935. | 1900. | 1923. | 1933. |
Reference | Miyazawa, Kurose, et al., 2001 | Buttery, Light, et al., 2000 | Parada, Duque, et al., 2000 | Parada, Duque, et al., 2000 | Iwatsuki, Mizota, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | HP-Innowax | DB-Wax | DB-Wax |
Column length (m) | 30. | 60. | 25. | 60. | 30. |
Carrier gas | He | He | |||
Substrate | |||||
Column diameter (mm) | 0.53 | 0.25 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 60. | 30. | 35. | 60. | 20. |
Tend (C) | 210. | 170. | 250. | 180. | 200. |
Heat rate (K/min) | 4. | 2. | 4. | 2. | 4. |
Initial hold (min) | 4. | 4. | |||
Final hold (min) | 30. | 10. | |||
I | 1930. | 1925. | 1950. | 1956. | 1936. |
Reference | Iwatsuki, Mizota, et al., 1999 | Buttery and Ling, 1998 | Ong, Acree, et al., 1998 | Sekiwa, Kubota, et al., 1997 | Morales, Albarracín, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | TC-Wax | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 30. | 60. | 60. | 30. | 150. |
Carrier gas | He | Helium | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.64 |
Phase thickness (μm) | 0.25 | ||||
Tstart (C) | 50. | 80. | 60. | 40. | 50. |
Tend (C) | 200. | 240. | 220. | 200. | 170. |
Heat rate (K/min) | 4. | 3. | 3. | 6. | 1. |
Initial hold (min) | 4. | 5. | 4. | 1. | 30. |
Final hold (min) | 10. | ||||
I | 1966. | 1965. | 1975. | 1963. | 1990. |
Reference | Morales, Albarracín, et al., 1996 | Shuichi, Masazumi, et al., 1996 | Chung, Eiserich, et al., 1993 | Andersen J.F., Mikolajczak K.L., et al., 1987 | Buttery, Parker, et al., 1981 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Piyachaiseth, Jirapakkul, et al., 2011
Piyachaiseth, T.; Jirapakkul, W.; Chaiseri, S.,
Aroma compounds of flash-fried rice,
Kasetsart J. (Nat. Sci.), 2011, 45, 717-729. [all data]
Duarte, Dias, et al., 2010
Duarte, W.F.; Dias, D.R.; Oliveira, J.M.; Teixeira, J.A.; de Almeida e Silva, J.B.; Schwan, R.F.,
Characterization of different fruit wines made from cacao,cupuassu, gabiroba, jaboticaba and umbu,
Food Sci. Technol., 2010, 43, 1564-1572. [all data]
Mo, Fan, et al., 2009
Mo, X.; Fan, W.; Xu, Y.,
Changes in volatile compounds of Chinese rice wine wheat qu during fermentation and storage,
J. of the Institute of Brewing, 2009, 115, 4, 300-307, https://doi.org/10.1002/j.2050-0416.2009.tb00385.x
. [all data]
Blazevic and Mastelic, 2008
Blazevic, I.; Mastelic, J.,
Free and bounded volatiles of rocket (Eruca sativa Mill.),
Fravour Fragr. J., 2008, 23, 4, 278-285, https://doi.org/10.1002/ffj.1883
. [all data]
Callejon, Morales, et al., 2008
Callejon, R.M.; Morales, M.L.; Ferreira, A.C.S.; Troncoso, A.M.,
Defining the typical aroma of sherry vinegar: sensory and chemical approach,
J. Agric. Food Chem., 2008, 56, 17, 8086-8095, https://doi.org/10.1021/jf800903n
. [all data]
Audino, Alzogaray, et al., 2007
Audino, P.G.; Alzogaray, R.A.; Vassena, C.; Masuh, H.; Fontán, A.; Gatti, P.; Martínez, A.; Camps, F.; Cork, A.; Zerba, E.,
Volatile compounds secreted by Brindley's glands of adult Triatoma infestans: identification and biological activity of previously unidentified compounds,
Journal of Vector Ecology, 2007, 32, 1, 75-82, https://doi.org/10.3376/1081-1710(2007)32[75:VCSBBO]2.0.CO;2
. [all data]
Prososki, Etzel, et al., 2007
Prososki, R.A.; Etzel, M.R.; Rankin, S.A.,
Solvent type affects the number, distribution, and relative quantities of volatile compounds found in sweet whey powder,
J. Dairy Sci., 2007, 90, 2, 523-531, https://doi.org/10.3168/jds.S0022-0302(07)71535-7
. [all data]
Rawat, Gulati, et al., 2007
Rawat, R.; Gulati, A.; Babu, G.D.K.; Acharya, R.; Kaul, V.K.; Singh, B.,
Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
Food Chem., 2007, 105, 1, 229-235, https://doi.org/10.1016/j.foodchem.2007.03.071
. [all data]
Fan and Qian, 2006
Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds of Chinese Wuliangye and Jiannanchun Liquors by Aroma Extract Dilution Analysis,
J. Agric. Food Chem., 2006, 54, 7, 2695-2704, https://doi.org/10.1021/jf052635t
. [all data]
Fan and Qian, 2006, 2
Fan, W.; Qian, M.C.,
Identification of aroma compounds in Chinese 'Yanghe Daqu' liquor by normal phase chromatography fractionation followed by gas chromatography/olfactometry,
Flavour Fragr. J., 2006, 21, 2, 333-342, https://doi.org/10.1002/ffj.1621
. [all data]
Wierda R.L., Fletcher G., et al., 2006
Wierda R.L.; Fletcher G.; Xu L.; Dufour J.P.,
Analysis of volatile compounds as spoilage indicators in fresh king salmon (Oncorhynchus tshawytscha) during storage using SPME-GC-MS,
J. Agric. Food Chem., 2006, 54, 22, 8480-8490, https://doi.org/10.1021/jf061377c
. [all data]
Fan and Qian, 2005
Fan, W.; Qian, M.C.,
Headspace Solid Phase Microextraction and Gas Chromatography-Olfactometry Dilution Analysis of Young and Aged Chinese Yanghe Daqu Liquors,
J. Agric. Food Chem., 2005, 53, 20, 7931-7938, https://doi.org/10.1021/jf051011k
. [all data]
Nogueira, Lubachevsky, et al., 2005
Nogueira, M.C.L.; Lubachevsky, G.; Rankin, S.A.,
A study of the volatile composition of Minas cheese,
Lebensm. Wiss. Technol., 2005, 38, 5, 555-563, https://doi.org/10.1016/j.lwt.2004.07.019
. [all data]
Choi, 2004
Choi, H.-S.,
Aroma evaluation of an aquatic herb, changpo (Acorus calamus Var. angustatus Bess), by AEDA and SPME,
J. Agric. Food Chem., 2004, 52, 26, 8099-8104, https://doi.org/10.1021/jf040239p
. [all data]
Jiang and Kubota, 2004
Jiang, L.; Kubota, K.,
Differences in the volatile components and their odor characteristics of green and ripe fruits and dried pericarp of Japanese pepper (Xanthoxylum piperitum DC.),
J. Agric. Food Chem., 2004, 52, 13, 4197-4203, https://doi.org/10.1021/jf030663a
. [all data]
Lin, Cai, et al., 2003
Lin, P.; Cai, J.; Li, J.; Sang, W.; Su, Q.,
Constituents of the essential oil of Hemerocallis flava day lily,
Flavour Fragr. J., 2003, 18, 6, 539-541, https://doi.org/10.1002/ffj.1264
. [all data]
Miyazawa and Okuno, 2003
Miyazawa, M.; Okuno, Y.,
Volatile components from the roots of Scrophularia ningpoensis Hemsl.,
Flavour Fragr. J., 2003, 18, 5, 398-400, https://doi.org/10.1002/ffj.1232
. [all data]
Suleimenov, Atazharova, et al., 2003
Suleimenov, E.M.; Atazharova, G.A.; Demirchi, B.; Baser, K.H.C.; Adekenov, S.M.,
Essential oil composition of Artemisia Lercheana and A. Sieversiana of Kazakhstan flora
in Recent problems of development of new medicines of natural origin, Proceedings of symposium, St.Petersburg - Pushkin, 2003, 382-385. [all data]
Tanaka, Yamauchi, et al., 2003
Tanaka, T.; Yamauchi, T.; Katsumata, R.; Kiuchi, K.,
Comparison of volatile components in commercial Itohiki-Natto by solid phase microextraction and gas chromatography,
Nippon Shokuhin Kagaku Kogaku Kaishi, 2003, 50, 6, 278-285, https://doi.org/10.3136/nskkk.50.278
. [all data]
Vichi, Castellote, et al., 2003
Vichi, S.; Castellote, A.I.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; López-Tamames, E.,
Analysis of virgin olive oil volatile compounds by headspace solid-phase microextraction coupled to gas chromatography with mass spectrometric and flame ionization detection,
J. Chromatogr. A, 2003, 983, 1-2, 19-33, https://doi.org/10.1016/S0021-9673(02)01691-6
. [all data]
Lecanu, Ducruet, et al., 2002
Lecanu, L.; Ducruet, V.; Jouquand, C.; Gratadoux, J.J.; Feigenbaum, A.,
Optimization of headspace solid-phase microextraction (SPME) for the odor analysis of surface-ripened cheese,
J. Agric. Food Chem., 2002, 50, 13, 3810-3817, https://doi.org/10.1021/jf0117107
. [all data]
Qian and Reineccius, 2002
Qian, M.; Reineccius, G.,
Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry,
J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1
. [all data]
Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N.,
Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation,
J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e
. [all data]
Miyazawa, Kurose, et al., 2001
Miyazawa, M.; Kurose, K.; Itoh, A.; Hiraoka, N.,
Comparison of the essential oils of Glehnia littoralis from Northern and Southern Japan,
J. Agric. Food Chem., 2001, 49, 11, 5433-5436, https://doi.org/10.1021/jf010219c
. [all data]
Buttery, Light, et al., 2000
Buttery, R.G.; Light, D.M.; Nam, Y.; Merrill, G.B.; Roitman, J.N.,
Volatile components of green walnut husks,
J. Agric. Food Chem., 2000, 48, 7, 2858-2861, https://doi.org/10.1021/jf000288b
. [all data]
Parada, Duque, et al., 2000
Parada, F.; Duque, C.; Fujimoto, Y.,
Free and bound volatile composition and characterization of some glucoconjugates as aroma precursors in Melón de olor fruit pulp (Sicana odorifera),
J. Agric. Food Chem., 2000, 48, 12, 6200-6204, https://doi.org/10.1021/jf0007232
. [all data]
Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587
. [all data]
Buttery and Ling, 1998
Buttery, R.G.; Ling, L.C.,
Additional studies on flavor components of corn tortilla chips,
J. Agric. Food Chem., 1998, 46, 7, 2764-2769, https://doi.org/10.1021/jf980125b
. [all data]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [all data]
Sekiwa, Kubota, et al., 1997
Sekiwa, Y.; Kubota, K.; Kobayashi, A.,
Characteristic flavor components in the brew of cooked clam (Meretrix lusoria) and the effect of storage on flavor formation,
J. Agric. Food Chem., 1997, 45, 3, 826-830, https://doi.org/10.1021/jf960433e
. [all data]
Morales, Albarracín, et al., 1996
Morales, A.L.; Albarracín, D.; Rodríguez, J.; Duque, C.; Riaño, L.E.; Espitia, J.,
Volatile constituents from Andes berry (Rubus glaucus Benth),
J. Hi. Res. Chromatogr., 1996, 19, 10, 585-587, https://doi.org/10.1002/jhrc.1240191011
. [all data]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [all data]
Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds identified in headspace samples of peanut oil heated under temperatures ranging from 50 to 200 °C,
J. Agric. Food Chem., 1993, 41, 9, 1467-1470, https://doi.org/10.1021/jf00033a022
. [all data]
Andersen J.F., Mikolajczak K.L., et al., 1987
Andersen J.F.; Mikolajczak K.L.; Reed D.K.,
Analysis of peach bark volatiles and their electroantennogram activity with lesser pechtree borer, Synanthedon pictipes (Grote and Robinson),
J. Chem. Ecol., 1987, 13, 11, 2103-2114, https://doi.org/10.1007/BF01012874
. [all data]
Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017
. [all data]
Notes
Go To: Top, Normal alkane 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
- 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.