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Substance Name: 5-Methylhexanoic acid
RN: 628-46-6
UNII: N1AK4X34C2
InChIKey: MHPUGCYGQWGLJL-UHFFFAOYSA-N

Classification Codes

  • Reproductive Effect
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H14-O2

Molecular Weight

  • 130.186
 
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Names and Synonyms

Name of Substance

  • 5-Methylhexanoic acid

Synonyms

  • 4-02-00-00970 (Beilstein Handbook Reference)
  • 5-Methylcaproic acid
  • 5-Methylhexanoic acid
  • 5-Methylhexylic acid
  • BRN 1744722
  • FEMA No. 3572
  • Hexanoic acid, 5-methyl-
  • Isoamylacetic acid
  • Isoenanthic acid
  • Isoheptanoic acid
  • Isovenanthic acid
  • UNII-N1AK4X34C2

Systematic Name

  • Hexanoic acid, 5-methyl-

Superlist Name

  • 5-Methylhexanoic acid

Registry Numbers

CAS Registry Number

  • 628-46-6

FDA UNII

  • N1AK4X34C2

System Generated Number

  • 0000628466

Structure Descriptors

InChI

1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)

InChIKey

MHPUGCYGQWGLJL-UHFFFAOYSA-N

Smiles

C(CCCC(O)=O)(C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -2.50E+01 deg C   EXP
Boiling Point 216 deg C   EXP
log P (octanol-water) 2.470 (none)   EST
Atmospheric OH Rate Constant 6.93E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.