5-Methylhexanoic acid
CAS Registry Number®
628-46-6
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CAS Name
5-Methylhexanoic acidMolecular Formula
C7H14O2Molecular Mass
130.18Cite this Page
5-Methylhexanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=628-46-6 (retrieved ) (CAS RN: 628-46-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
216 °CMelting Point (1)
<-25 °CDensity (2)
0.9140 g/cm³ @ Temp: 20 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Quebedeaux, W. A.; Journal of the American Chemical Society, (1943), 65, 767-70, CAplus
Other Names and Identifiers
InChI
InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey
InChIKey=MHPUGCYGQWGLJL-UHFFFAOYSA-N
SMILES
C(CC(C)C)CC(O)=O
Canonical SMILES
O=C(O)CCCC(C)C
Other Names for this Substance
- Hexanoic acid, 5-methyl-
- Caproic acid, δ-methyl-
- 5-Methylhexanoic acid
- Isoenanthic acid
- 5-Methylhexylic acid
