Product Name

  • Name

    1-Phenylbutane-1,4-diol

  • EINECS
  • CAS No. 4850-50-4
  • Article Data65
  • CAS DataBase
  • Density 1.1 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H14O2
  • Boiling Point 316.1 °C at 760 mmHg
  • Molecular Weight 166.22
  • Flash Point 153.9 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 4850-50-4 (1-Phenylbutane-1,4-diol)
  • Hazard Symbols
  • Synonyms 1,4-butanediol, 1-phenyl-; 1-Phenylbutane-1,4-diol
  • PSA
  • LogP

1-Phenylbutane-1,4-diol Specification

The 1-Phenylbutane-1,4-diol is an organic compound with the formula C10H14O2. The IUPAC name of this chemical is 1-phenylbutane-1,4-diol. With the CAS registry number 4850-50-4, it is also named as 1,4-butanediol, 1-phenyl-.

Physical properties about 1-Phenylbutane-1,4-diol are: (1)ACD/LogP: 0.68; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 18.46 Å2; (6)Index of Refraction: 1.55; (7)Molar Refractivity: 48.14 cm3; (8)Molar Volume: 151 cm3; (9)Polarizability: 19.08×10-24cm3; (10)Surface Tension: 47 dyne/cm; (11)Density: 1.1 g/cm3; (12)Flash Point: 153.9 °C; (13)Enthalpy of Vaporization: 58.85 kJ/mol; (14)Boiling Point: 316.1 °C at 760 mmHg; (15)Vapour Pressure: 0.000176 mmHg at 25°C.

Preparation of 1-Phenylbutane-1,4-diol: this chemical can be prepared by 4-oxo-4-phenyl-butyric acid. This reaction will need reagent LiAlH4.

1-Phenylbutane-1,4-diol can be prepared by 4-oxo-4-phenyl-butyric acid

Uses of 1-Phenylbutane-1,4-diol: it can be used to produce 2-Phenyl-tetrahydro-furan at temperature of 80 °C. It will need reagent ZnCl2 and solvent 1,2-dichloro-ethane with reaction time of 1 hour. The yield is about 64%.

1-Phenylbutane-1,4-diol can be used to produce 2-Phenyl-tetrahydro-furan

You can still convert the following datas into molecular structure:
(1)SMILES: OC(c1ccccc1)CCCO
(2)InChI: InChI=1/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2
(3)InChIKey: OKWLUBCSBVYYTC-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H14O2/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6,10-12H,4,7-8H2
(5)Std. InChIKey: OKWLUBCSBVYYTC-UHFFFAOYSA-N

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