4-Methyloctanoic acid
CAS Registry Number®
54947-74-9
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CAS Name
4-Methyloctanoic acidMolecular Formula
C9H18O2Molecular Mass
158.24Cite this Page
4-Methyloctanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=54947-74-9 (retrieved ) (CAS RN: 54947-74-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
140-142 °C @ Press: 10 TorrMelting Point (2)
110.5-111.5 °CDensity (2)
0.091518 g/cm³ @ Temp: 20 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey
InChIKey=LEGGANXCVQPIAI-UHFFFAOYSA-N
SMILES
C(CCC(O)=O)(CCCC)C
Canonical SMILES
O=C(O)CCC(C)CCCC
Other Names for this Substance
- Octanoic acid, 4-methyl-
- 4-Methyloctanoic acid
- 4-Methylcaprylic acid
- Hircinoic acid
Deleted or Replaced CAS Registry Numbers
153831-54-0
