Product Name

  • Name

    6-Methyl-1-octanol

  • EINECS 253-977-2
  • CAS No. 38514-05-5
  • Article Data4
  • CAS DataBase
  • Density 0.824 g/cm3
  • Solubility
  • Melting Point 6.15°C (estimate)
  • Formula C9H20O
  • Boiling Point 196.6 °C at 760 mmHg
  • Molecular Weight 144.257
  • Flash Point 79.5 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 38514-05-5 (6-Methyl-1-octanol)
  • Hazard Symbols
  • Synonyms 6-METHYL-1-OCTANOL;6-methyloctan-1-ol
  • PSA 20.23000
  • LogP 2.58520

6-Methyl-1-octanol Specification

The 6-Methyl-1-octanol is an organic compound with the formula C9H20O. The IUPAC name of this chemical is 6-Methyl-1-octanol. With the CAS registry number 38514-05-5, it is also named as 1-octanol, 6-methyl-.

Physical properties about 6-Methyl-1-octanol are: (1)ACD/LogP: 3.35; (2)ACD/LogD (pH 5.5): 3.35; (3)ACD/LogD (pH 7.4): 3.35; (4)ACD/BCF (pH 5.5): 206.29; (5)ACD/BCF (pH 7.4): 206.29; (6)ACD/KOC (pH 5.5): 1578.75; (7)ACD/KOC (pH 7.4): 1578.75; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.43; (13)Molar Refractivity: 45.23 cm3; (14)Molar Volume: 174.9 cm3; (15)Polarizability: 17.93×10-24cm3; (16)Surface Tension: 28.5 dyne/cm; (17)Density: 0.824 g/cm3; (18)Flash Point: 79.5 °C; (19)Enthalpy of Vaporization: 50.36 kJ/mol; (20)Boiling Point: 196.6 °C at 760 mmHg; (21)Vapour Pressure: 0.102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCC(CC)C
(2)InChI: InChI=1/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
(3)InChIKey: WWRGKAMABZHMCN-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C9H20O/c1-3-9(2)7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
(5)Std. InChIKey: WWRGKAMABZHMCN-UHFFFAOYSA-N

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