Product Name

  • Name

    Aluminacyclohexane

  • EINECS
  • CAS No. 6680-73-5
  • Density 1.18 g/cm3
  • Solubility
  • Melting Point
  • Formula C8H10O2
  • Boiling Point 291.3 °C at 760 mmHg
  • Molecular Weight 138.1638
  • Flash Point 145.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6680-73-5 (Aluminacyclohexane)
  • Hazard Symbols
  • Synonyms p-Bis(hydroxymethyl)benzene;
  • PSA
  • LogP

Aluminacyclohexane Specification

The Aluminacyclohexane, with the CAS registry number of 6680-73-5, is also known as p-Bis(hydroxymethyl)benzene. This chemical's molecular formula is C8H10O2 and molecular weight is 138.1638. What's more, its IUPAC name is [2-(Hydroxymethyl)phenyl]methanol.

Physical properties about the Aluminacyclohexane are: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.44; (8)ACD/KOC (pH 7.4): 24.44; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 39.15 cm3; (15)Molar Volume: 117 cm3; (16)Surface Tension: 51.9 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 145.3 °C; (19)Enthalpy of Vaporization: 56.05 kJ/mol; (20)Boiling Point: 291.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000902 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1ccccc1CO
(2) InChI: InChI=1/C8H10O2/c9-5-7-3-1-2-4-8(7)6-10/h1-4,9-10H,5-6H2
(3) InChIKey: XMUZQOKACOLCSS-UHFFFAOYAW

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