Isocaproic acid
CAS Registry Number®
646-07-1
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CAS Name
Isocaproic acidMolecular Formula
C6H12O2Molecular Mass
116.16Cite this Page
Isocaproic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=646-07-1 (retrieved ) (CAS RN: 646-07-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
200.5 °CMelting Point (1)
-33 °CDensity (2)
0.9392 g/cm³ @ Temp: 0 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Hommelen, M.; Bulletin des Societes Chimiques Belges, (1933), 42, 243-50, CAplus
Other Names and Identifiers
InChI
InChI=1S/C6H12O2/c1-5(2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey
InChIKey=FGKJLKRYENPLQH-UHFFFAOYSA-N
SMILES
C(CC(O)=O)C(C)C
Canonical SMILES
O=C(O)CCC(C)C
Other Names for this Substance
- Pentanoic acid, 4-methyl-
- Valeric acid, 4-methyl-
- 4-Methylpentanoic acid
- Isocaproic acid
- 4-Methylvaleric acid
Deleted or Replaced CAS Registry Numbers
1331-16-4, 1866-94-0, 38784-67-7
