4-Methyloctanoic acid
- Formula: C9H18O2
- Molecular weight: 158.2380
- IUPAC Standard InChI: InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
- IUPAC Standard InChIKey: LEGGANXCVQPIAI-UHFFFAOYSA-N
- CAS Registry Number: 54947-74-9
- 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: Octanoic acid, 4-methyl-
- Information on this page:
- Other data available:
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Gas Chromatography
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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
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2097. | Whetstine M.E.C., Drake M.A., et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
| Capillary | DB-Wax | 2131. | Carunchia Whetstine, Croissant, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-FFAP | 2111. | Munk, Johansen, et al., 2001 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C(5min) |
| Capillary | DB-FFAP | 2083. | Munk, Munch, et al., 2000 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C (5min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Whetstine M.E.C., Drake M.A., et al., 2006
Whetstine M.E.C.; Drake M.A.; Nelson B.K.; Barbano D.M.,
Flavor profiles of full-fat and reduced-fat cheese and cheese fat made from aged cheddar with the fat removed using a novel process,
J. Dairy Res., 2006, 89, 2, 505-517, https://doi.org/10.3168/jds.S0022-0302(06)72113-0
. [all data]
Carunchia Whetstine, Croissant, et al., 2005
Carunchia Whetstine, M.E.; Croissant, A.E.; Drake, M.A.,
Characterization of Dried Whey Protein Concentrate and Isolate Flavor,
J. Dairy Sci., 2005, 88, 11, 3826-3839, https://doi.org/10.3168/jds.S0022-0302(05)73068-X
. [all data]
Munk, Johansen, et al., 2001
Munk, S.; Johansen, C.; Stahnke, L.H.; Adler-Nissen, J.,
Microbial survival and odor in laundry,
Journal of Surfactants and Detergents, 2001, 4, 4, 385-394, https://doi.org/10.1007/s11743-001-0192-2
. [all data]
Munk, Munch, et al., 2000
Munk, S.; Munch, P.; Stahnke, L.; Adler-Nissen., J.; Schieberle, P.,
Primary odorants of laundry soiled with sweat/sebum: influence of lipase on the odor profile,
Journal of Surfactants and Detergents, 2000, 3, 4, 505-515, https://doi.org/10.1007/s11743-000-0150-z
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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