Hexanoic acid, 2-ethyl-
- Formula: C8H16O2
- Molecular weight: 144.2114
- IUPAC Standard InChIKey: OBETXYAYXDNJHR-UHFFFAOYSA-N
- CAS Registry Number: 149-57-5
- 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: α-Ethylcaproic acid; α-Ethylhexanoic acid; Butylethylacetic acid; Ethylhexanoic acid; Ethylhexoic acid; 2-Butylbutanoic acid; 2-Ethylcaproic acid; 2-Ethylhexanoic acid; 2-Ethylhexoic acid; 3-Heptanecarboxylic acid; Kyselina 2-ethylkapronova; Kyselina heptan-3-karboxylova; 2-Ethyl-1-hexanoic acid; 2-Ethylcapronic acid; NSC 8881
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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 | HP-FFAP | HP-FFAP | HP-FFAP | CP Wax 52 CB | RTX-Wax |
Column length (m) | 25. | 25. | 25. | 60. | 30. |
Carrier gas | Helium | Helium | Helium | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.50 | 0.50 | 0.50 | 0.25 | 0.5 |
Tstart (C) | 45. | 45. | 45. | 40. | 40. |
Tend (C) | 220. | 220. | 220. | 220. | 220. |
Heat rate (K/min) | 15. | 15. | 15. | 3. | 10. |
Initial hold (min) | 5. | ||||
Final hold (min) | 10. | ||||
I | 1965. | 1968. | 1968. | 1910. | 1934. |
Reference | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Wanakhachornkrai and Lertsiri, 9999 | Chen, Chyau, et al., 2007 | Prososki, Etzel, 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 Etr | HP-FFAP | HP-FFAP | HP-FFAP | TC-Wax |
Column length (m) | 60. | 25. | 25. | 25. | 60. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.5 | 0.25 |
Tstart (C) | 40. | 45. | 45. | 45. | 40. |
Tend (C) | 230. | 220. | 220. | 220. | 230. |
Heat rate (K/min) | 2. | 15. | 15. | 15. | 3. |
Initial hold (min) | 5. | 10. | |||
Final hold (min) | 100. | 10. | |||
I | 1960. | 1968. | 1968. | 1965. | 1937. |
Reference | Ibarz, Ferreira, et al., 2006 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Wanakhachornkrai and Lertsiri, 2003 | Suhardi, Suzuki, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | DB-Wax | TC-Wax |
Column length (m) | 30. | 30. | 60. | 60. |
Carrier gas | He | |||
Substrate | ||||
Column diameter (mm) | 0.53 | 0.53 | 0.25 | 0.25 |
Phase thickness (μm) | ||||
Tstart (C) | 60. | 60. | 60. | 80. |
Tend (C) | 210. | 210. | 180. | 240. |
Heat rate (K/min) | 4. | 4. | 2. | 3. |
Initial hold (min) | 5. | |||
Final hold (min) | ||||
I | 1933. | 1928. | 1954. | 1918. |
Reference | Iwatsuki, Mizota, et al., 1999 | Iwatsuki, Mizota, et al., 1999 | Sekiwa, Kubota, et al., 1997 | Shuichi, Masazumi, et al., 1996 |
Comment | 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Chen, Chyau, et al., 2007
Chen, C.-C.; Chyau, C.-C.; Hseu, TY.-H.,
Production of a COX-2 inhibitor, 2,4,5-trimethoxybenzaldehyde, with submerged cultured Antrodia camphorata,
Lett. Appl. Microbiol., 2007, 44, 4, 387-392, https://doi.org/10.1111/j.1472-765X.2006.02087.x
. [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]
Ibarz, Ferreira, et al., 2006
Ibarz, M.J.; Ferreira, V.; Hernández-Orte, P.; Loscos, N.; Cacho, J.,
Optimization and evaluation of a procedure for the gas chromatographic-mass spectrometric analysis of the aromas generated by fast acid hydrolysis of flavor precursors extracted from grapes,
J. Chromatogr. A, 2006, 1116, 1-2, 217-229, https://doi.org/10.1016/j.chroma.2006.03.020
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [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]
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]
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]
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]
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
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