Product Name

  • Name

    octahydro-4,7-methano-1H-indene-2,5-dimethanol

  • EINECS 248-857-1
  • CAS No. 28132-01-6
  • Article Data4
  • CAS DataBase
  • Density 1.111 g/cm3
  • Solubility
  • Melting Point
  • Formula C12H20O2
  • Boiling Point 356.7 °C at 760 mmHg
  • Molecular Weight 196.29
  • Flash Point 173.4 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 28132-01-6 (octahydro-4,7-methano-1H-indene-2,5-dimethanol)
  • Hazard Symbols
  • Synonyms 4,7-Methanoindan-2,5-dimethanol,hexahydro- (6CI,8CI);4,8-Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane;NSC76048;Tricyclo[5.2.1.02,6]decane-4,8-dimethanol;
  • PSA 40.46000
  • LogP 1.26940

4,7-Methano-1H-indene-2,5-dimethanol,octahydro- Specification

The 4, 7-Methano-1H-indene-2, 5-dimethanol, octahydro-, with the CAS registry number 28132-01-6, is also known as Tricyclo[5.2.1.02,6]decane-4,8-diyldimethanol. Its EINECS registry number is 248-857-1. This chemical's molecular formula is C12H20O2 and molecular weight is 196.286. What's more, its systematic name is Octahydro-1H-4, 7-methanoindene-2, 5-diyldimethanol.

Physical properties about 4, 7-Methano-1H-indene-2, 5-dimethanol, octahydro- are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.19; (4)ACD/LogD (pH 7.4): 1.19; (5)ACD/BCF (pH 5.5): 4.76; (6)ACD/BCF (pH 7.4): 4.76; (7)ACD/KOC (pH 5.5): 106.41; (8)ACD/KOC (pH 7.4): 106.41; (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: 1.531; (14)Molar Refractivity: 54.67 cm3; (15)Molar Volume: 176.5 cm3; (16)Polarizability: 21.67×10-24 cm3; (17)Surface Tension: 46 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 173.4 °C; (20)Enthalpy of Vaporization: 69.69 kJ/mol; (21)Boiling Point: 356.7 °C at 760 mmHg; (22)Vapour Pressure: 1.61E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCC1CC3C(C1)C2CC(C3C2)CO
(2) InChI: InChI=1/C12H20O2/c13-5-7-1-10-8-3-9(6-14)11(4-8)12(10)2-7/h7-14H,1-6H2
(3) InChIKey: ZFZDWMXUMXACHS-UHFFFAOYAK

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