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4-Propylcyclohexanone

  • Name 4-Propylcyclohexanone
  • EINECS406-810-4
  • CAS No. 40649-36-3
  • Density0.892 g/cm3
  • PSA17.07000
  • LogP2.54580
  • Solubility1.96g/L at 20℃
  • Melting Point32.57°C (estimate)
  • FormulaC9H16O
  • Boiling Point202.6 °C at 760 mmHg
  • Molecular Weight140.225
  • Flash Point69.2 °C
  • Transport InformationN/A
  • AppearanceColorless liquid
  • Safety25-37-61
  • Risk Codes38-52/53
  • Molecular Structure
    Molecular Structure of 40649-36-3 (4-Propylcyclohexanone)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data22

4-Propylcyclohexanone Chemical Properties

IUPAC Name: 4-propylcyclohexan-1-one 
Empirical Formula: C9H16O
Molecular Weight: 140.2227g/mol
EINECS: 406-810-4 
Structure of Cyclohexanone,4-propyl- (CAS NO.40649-36-3):

Index of Refraction: 1.444
Molar Refractivity: 41.76 cm3
Molar Volume: 157 cm3
Polarizability: 16.55×10-24cm3
Surface Tension: 28.8 dyne/cm
Density: 0.892 g/cm3
Flash Point: 69.2 °C
Enthalpy of Vaporization: 43.88 kJ/mol
Boiling Point: 202.6 °C at 760 mmHg
Vapour Pressure: 0.29 mmHg at 25°C 
Product Categories: blocks;BuildingBlocks;Liquid Crystal intermediates;Miscellaneous 
Synonyms of Cyclohexanone,4-propyl- (CAS NO.40649-36-3): 4-Propylcyclohexanone 
Canonical SMILES: CCCC1CCC(=O)CC1
InChI: InChI=1S/C9H16O/c1-2-3-8-4-6-9(10)7-5-8/h8H,2-7H2,1H3
InChIKey: NQEDLIZOPMNZMC-UHFFFAOYSA-N

4-Propylcyclohexanone Uses

Intermediates of Liquid Crystals

4-Propylcyclohexanone Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 38-52/53
R38:Irritating to skin. 
R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements: 25-37-61 
S25:Avoid contact with eyes. 
S37:Wear suitable gloves. 
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
WGK Germany: 1
Hazard Note: Irritant
HS Code: 29142900

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