Product Name

  • Name

    1,1-dimethoxy-3,5,5-trimethylhexane

  • EINECS 276-964-3
  • CAS No. 72894-13-4
  • Density 0.842 g/cm3
  • Solubility
  • Melting Point
  • Formula C11H24O2
  • Boiling Point 184.6 °C at 760 mmHg
  • Molecular Weight 188.3071
  • Flash Point 35.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 72894-13-4 (1,1-dimethoxy-3,5,5-trimethylhexane)
  • Hazard Symbols
  • Synonyms 3,5,5-Trimethylhexanal dimethyl acetal;
  • PSA
  • LogP

Hexane,1,1-dimethoxy-3,5,5-trimethyl- Specification

The Hexane,1,1-dimethoxy-3,5,5-trimethyl-, with the CAS registry number 72894-13-4, is also known as 3,5,5-Trimethylhexanal dimethyl acetal. Its EINECS registry number is 276-964-3. This chemical's molecular formula is C11H24O2 and molecular weight is 188.33. What's more, its systematic name is 1,1-Dimethoxy-3,5,5-trimethylhexane.

Physical properties about Hexane,1,1-dimethoxy-3,5,5-trimethyl- are: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.25; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 174.34; (6)ACD/BCF (pH 7.4): 174.34; (7)ACD/KOC (pH 5.5): 1399.6; (8)ACD/KOC (pH 7.4): 1399.6; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 56.38 cm3; (15)Molar Volume: 223.6 cm3; (16)Polarizability: 22.35×10-24 cm3; (17)Surface Tension: 24.7 dyne/cm; (18)Density: 0.842 g/cm3; (19)Flash Point: 35.1 °C; (20)Enthalpy of Vaporization: 40.36 kJ/mol; (21)Boiling Point: 184.6 °C at 760 mmHg; (22)Vapour Pressure: 0.994 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(C)C(OC)CC(CC(C)(C)C)C
(2)InChI: InChI=1/C11H24O2/c1-9(8-11(2,3)4)7-10(12-5)13-6/h9-10H,7-8H2,1-6H3
(3)InChIKey: OKMANJUJOSTZGX-UHFFFAOYAV

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