Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: n-Butylmalonic acid
RN: 534-59-8
UNII: 4X9O8XSJ0E
InChIKey: MCRZWYDXIGCFKO-UHFFFAOYSA-N

Molecular Formula

  • C7-H12-O4

Molecular Weight

  • 160.168
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2-n-Butylmalonate
  • n-Butylmalonic acid

Synonyms

  • 1,1-Pentanedicarboxylic acid
  • 2-Butylmalonate
  • 2-Butylmalonic acid
  • 2-n-Butylmalonic acid
  • alpha-Carboxycaproic acid
  • Butylmalonate
  • EINECS 208-602-7
  • n-Butylmalonic acid
  • NSC 791
  • UNII-4X9O8XSJ0E

Systematic Names

  • Butylmalonic acid
  • Malonic acid, butyl- (8CI)
  • Propanedioic acid, butyl- (9CI)

Registry Numbers

CAS Registry Number

  • 534-59-8

FDA UNII

  • 4X9O8XSJ0E

System Generated Number

  • 0000534598

Structure Descriptors

InChI

1S/C7H12O4/c1-2-3-4-5(6(8)9)7(10)11/h5H,2-4H2,1H3,(H,8,9)(H,10,11)

InChIKey

MCRZWYDXIGCFKO-UHFFFAOYSA-N

Smiles

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

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 104.5 deg C   EXP
Boiling Point 237.5 deg C   EXP
log P (octanol-water) 0.650 (none)   EST
Water Solubility 4.38E+05 mg/L 25 EXP
Vapor Pressure 1.44E-04 mm Hg 25 EST
Henry's Law Constant 1.27E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 6.52E-12 cm3/molecule-sec 25 EST

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