3,4-Dimethylcyclohexanone supplier

Name
3,4-DIMETHYLCYCLOHEXANONE
EINECS
CAS No. 5465-09-8
Article Data28
CAS DataBase
Density 0.882 g/cm³
Solubility
Melting Point 9.25°C (estimate)
Formula C₈H₁₄O
Boiling Point 186.999 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 53.762 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Dimethylcyclohexan-1-one;NSC 28978;
PSA 17.07000
LogP 2.01160

3,4-Dimethylcyclohexanone Specification

The Cyclohexanone,3,4-dimethyl-, with the CAS registry number 5465-09-8, is also known as 3,4-Dimethylcyclohexanone. This chemical's molecular formula is C₈H₁₄O and molecular weight is 126.20. What's more, its IUPAC name is called 3,4-Dimethylcyclohexan-1-one.

Physical properties about Cyclohexanone,3,4-dimethyl- are: (1)ACD/LogP: 1.892; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 16.14; (6)ACD/BCF (pH 7.4): 16.14; (7)ACD/KOC (pH 5.5): 254.78; (8)ACD/KOC (pH 7.4): 254.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.434 ; (14)Molar Refractivity: 37.217 cm³; (15)Molar Volume: 142.935 cm³; (16)Polarizability: 14.754×10^-24 cm³; (17)Surface Tension: 25.73 dyne/cm; (18)Density: 0.883 g/cm³; (19)Flash Point: 53.762 °C; (20)Enthalpy of Vaporization: 42.322 kJ/mol; (21)Boiling Point: 186.999 °C at 760 mmHg; (22)Vapour Pressure: 0.64 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1CCC(C)C(C)C1
(2) InChI: InChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h6-7H,3-5H2,1-2H3
(3) InChIKey: ZDCYWXYPRPCJOY-UHFFFAOYSA-N

Product Name

3,4-DIMETHYLCYCLOHEXANONE

3,4-Dimethylcyclohexanone Specification

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