Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.1583 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCC(C)CC(O)=O
InChI
InChIKey=IGIDLTISMCAULB-UHFFFAOYSA-N
InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.1583 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Solid-phase microextraction method for carbon isotopic analysis of volatile carboxylic acids in human plasma by gas chromatography/combustion/isotope ratio mass spectrometry. | 2006 |
|
| Deorphanization of Dresden G protein-coupled receptor for an odorant receptor. | 2007 |
|
| Polydimethylsiloxane-based permeation passive air sampler. Part II: Effect of temperature and humidity on the calibration constants. | 2010 Dec 10 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:50:11 GMT 2023
by
admin
on
Fri Dec 15 18:50:11 GMT 2023
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| Record UNII |
85FS4Y39LJ
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| Record Status |
Validated (UNII)
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| Record Version |
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JECFA EVALUATION |
3-METHYLPENTANOIC ACID
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422
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105-43-1
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