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Basic Information
CAS No.: 4026-18-0
Name: 2-HYDROXY-3-METHYLBUTYRIC ACID
Article Data: 39
Molecular Structure:
Molecular Structure of 4026-18-0 (2-HYDROXY-3-METHYLBUTYRIC ACID)
Formula: C5H10O3
Molecular Weight: 118.133
Synonyms: 2-Hydroxy-3-methylbutyric acid;
EINECS: 223-697-5
Density: 1.136 g/cm3
Melting Point: 86-87 °C(lit.)
Boiling Point: 237.589 °C at 760 mmHg
Flash Point: 111.76 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 57.53000
LogP: 0.08790
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  • 2-hydroxy-3-methyl-butanoic acid

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Chemistry

Product Name: 2-Hydroxyisovaleric acid (CAS NO.4026-18-0)

Molecular Formula: C5H10O3
Molecular Weight: 118.13g/mol
Mol File: 4026-18-0.mol
EINECS: 223-697-5
Melting Point: 86-87 °C(lit.)
Boiling point: 237.6 °C at 760 mmHg
Flash Point: 111.8 °C
Density: 1.136 g/cm3
Index of Refraction: 1.455  Molar Refractivity: 28.22 cm3 
Molar Volume: 103.9 cm3 
Surface Tension: 41.8 dyne/cm
Enthalpy of Vaporization: 55.14 kJ/mol
Vapour Pressure: 0.00793 mmHg at 25°C
XLogP3-AA: 0.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of 2-Hydroxyisovaleric acid (CAS NO.4026-18-0):
  IUPAC Name: 2-hydroxy-3-methylbutanoic acid
  Canonical SMILES: CC(C)C(C(=O)O)O
  InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8) 
  InChIKey: NGEWQZIDQIYUNV-UHFFFAOYSA-N

Safety Profile

Safety Information of 2-Hydroxyisovaleric acid (CAS NO.4026-18-0):
Hazard Codes: XiIrritant
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
WGK Germany: 3
F: 3-10

Specification

 2-Hydroxyisovaleric acid , its CAS NO. is 4026-18-0, the synonyms are 2-Hydroxy-3-methylbutyric acid ; 2-Hydroxy-3-methylbutanoic acid .