Product Name

  • Name

    5-METHYLHEXANOIC ACID

  • EINECS
  • CAS No. 628-46-6
  • Article Data2
  • CAS DataBase
  • Density 0,91 g/cm3
  • Solubility Slightly soluble in water.
  • Melting Point -55.77°C (estimate)
  • Formula C7H14 O2
  • Boiling Point 216°C
  • Molecular Weight 130.187
  • Flash Point >100°C
  • Transport Information
  • Appearance
  • Safety Experimental reproductive effects. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes 34-41
  • Molecular Structure Molecular Structure of 628-46-6 (5-METHYLHEXANOIC ACID)
  • Hazard Symbols A reproductive hazard.
  • Synonyms Caproicacid, d-methyl- (3CI); 5-Methylcaproicacid; 5-Methylhexanoic acid; 5-Methylhexylic acid; Isoenanthic acid; NSC 1075
  • PSA 37.30000
  • LogP 1.89730

5-Methylhexanoic acid Chemical Properties

Empirical Formula of 5-Methylhexanoic acid (CAS NO.628-46-6): C7H14O2
Molecular Weight: 130.1849 g/mol
Index of Refraction: 1.431
Density: 0.935 g/cm3
Flash Point: 102.8 °C
Enthalpy of Vaporization: 49.76 kJ/mol
Boiling Point: 215.3 °C at 760 mmHg
Vapour Pressure: 0.0576 mmHg at 25 °C
Structure of 5-Methylhexanoic acid (CAS NO.628-46-6):
                   
IUPAC Name: 5-Methylhexanoic acid
Canonical SMILES: CC(C)CCCC(=O)O
InChI: InChI=1S/C7H14O2/c1-6(2)4-3-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
InChIKey: MHPUGCYGQWGLJL-UHFFFAOYSA-N

5-Methylhexanoic acid Safety Profile

Experimental reproductive effects. When heated to decomposition 5-Methylhexanoic acid (CAS NO.628-46-6) emits acrid smoke and irritating vapors.
Risk Statements: 34 
R34:Causes burns.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.

5-Methylhexanoic acid Specification

 5-Methylhexanoic acid , its cas register number is 628-46-6. It also can be called Hexanoic acid, 5-methyl- ; and Isoheptanoic acid .

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