Product Name

  • Name

    4-HYDROXY-2,6-DIMETHYLBENZONITRILE

  • EINECS
  • CAS No. 58537-99-8
  • Article Data6
  • CAS DataBase
  • Density 1.13g/cm3
  • Solubility
  • Melting Point 176 ºC
  • Formula C9H9 N O
  • Boiling Point 313.7°Cat760mmHg
  • Molecular Weight 147.177
  • Flash Point 143.5°C
  • Transport Information
  • Appearance off-white Solid Not available
  • Safety S26-36/37/39
  • Risk Codes R20/21/22   
  • Molecular Structure Molecular Structure of 58537-99-8 (4-HYDROXY-2,6-DIMETHYLBENZONITRILE)
  • Hazard Symbols
  • Synonyms 4-Cyano-3,5-dimethylphenol;4-Hydroxy-2,6-dimethylbenzonitrile
  • PSA 44.02000
  • LogP 1.88068

4-Hydroxy-2,6-dimethylbenzonitrile Chemical Properties

IUPAC Name: 4-hydroxy-2,6-dimethylbenzonitrile 
Empirical Formula: C9H9NO
Molecular Weight: 147.1739g/mol
Structure of 4-Hydroxy-2,6-dimethylbenzonitrile (CAS NO.58537-99-8):

Index of Refraction: 1.563
Molar Refractivity: 42.09 cm3
Molar Volume: 129.4 cm3
Polarizability: 16.68×10-24cm3
Surface Tension: 50.3 dyne/cm
Density: 1.13 g/cm3
Flash Point: 143.5 °C
Enthalpy of Vaporization: 57.69 kJ/mol
Boiling Point: 313.7 °C at 760 mmHg
Vapour Pressure: 0.000265 mmHg at 25°C 
Product Categories: Aromatic Nitriles;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het 
Canonical SMILES: CC1=CC(=CC(=C1C#N)C)O
InChI: InChI=1S/C9H9NO/c1-6-3-8(11)4-7(2)9(6)5-10/h3-4,11H,1-2H3
InChIKey: KZEJTKHRBQWACL-UHFFFAOYSA-N

4-Hydroxy-2,6-dimethylbenzonitrile Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36/37
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.
RIDADR: 3276
Hazard Note: Harmful

4-Hydroxy-2,6-dimethylbenzonitrile Specification

  4-Hydroxy-2,6-dimethylbenzonitrile , its cas register number is 58537-99-8. It also can be called 4-Cyano-3,5-dimethylphenol ; Benzonitrile, 4-hydroxy-2,6-dimethyl- ; 2,6-Dimethyl-4-hydroxybenzonitrile ; 4-Hydroxy-2,6-Dimethyl Benzonitrile .

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