Product Name

  • Name

    THIOCINEOLE

  • EINECS 227-219-6
  • CAS No. 5718-75-2
  • Article Data8
  • CAS DataBase
  • Density 0.941 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H18S
  • Boiling Point 222.7 °C at 760 mmHg
  • Molecular Weight 170.319
  • Flash Point 79 °C
  • Transport Information
  • Appearance
  • Safety 60-61
  • Risk Codes 50/53
  • Molecular Structure Molecular Structure of 5718-75-2 (THIOCINEOLE)
  • Hazard Symbols N
  • Synonyms 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, exo-(-)-;p-Menthane, 2,8-epithio- (7CI,8CI);exo-(-)-4,7,7-Trimethyl-6-thiabicyclo(3.2.1)octane;
  • PSA 25.30000
  • LogP 3.46070

6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, (1R,4R,5R)- Specification

The CAS register number of 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, (1R,4R,5R)- is 5718-75-2. It also can be called as exo-(-)-4,7,7-Trimethyl-6-thiabicyclo(3.2.1)octane and the IUPAC name about this chemical is 4,7,7-trimethyl-6-thiabicyclo[3.2.1]octane. The molecular formula about this chemical is C10H18S and the molecular weight is 170.31.

Physical properties about 6-Thiabicyclo[3.2.1]octane,4,7,7-trimethyl-, (1R,4R,5R)- are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 3.84; (3)ACD/LogD (pH 7.4): 3.84; (4)ACD/BCF (pH 5.5): 491.13; (5)ACD/BCF (pH 7.4): 491.13; (6)ACD/KOC (pH 5.5): 2937.39; (7)ACD/KOC (pH 7.4): 2937.39; (8)Polar Surface Area: 25.3Å2; (9)Index of Refraction: 1.492; (10)Molar Refractivity: 52.52 cm3; (11)Molar Volume: 180.8 cm3; (12)Polarizability: 20.82x10-24cm3; (13)Surface Tension: 31 dyne/cm; (14)Enthalpy of Vaporization: 44.05 kJ/mol; (15)Boiling Point: 222.7 °C at 760 mmHg; (16)Vapour Pressure: 0.149 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S1C(C2CC1C(C)CC2)(C)C
(2)InChI: InChI=1/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
(3)InChIKey: FAXNZPOZWCWYBD-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H18S/c1-7-4-5-8-6-9(7)11-10(8,2)3/h7-9H,4-6H2,1-3H3
(5)Std. InChIKey: FAXNZPOZWCWYBD-UHFFFAOYSA-N

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