3-Hexanone, 4-ethyl- supplier

Name
4-ETHYL-3-HEXANONE
EINECS 228-115-3
CAS No. 6137-12-8
Article Data13
CAS DataBase
Density 0.811 g/cm³
Solubility
Melting Point
Formula C₈H₁₆O
Boiling Point 159.9 °C at 760 mmHg
Molecular Weight 128.214
Flash Point 44.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Ethyl-3-hexanone;
PSA 17.07000
LogP 2.40170

3-Hexanone, 4-ethyl- Specification

The 3-Hexanone, 4-ethyl-, with the CAS registry number of 6137-12-8, is also known as 4-Ethyl-3-hexanone. This chemical's molecular formula is C₈H₁₆O and molecular weight is 128.21. What's more, its IUPAC name is 4-Ethylhexan-3-one.

Physical properties about the 3-Hexanone, 4-ethyl- are: (1)ACD/LogP: 2.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.32; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 33.87; (6)ACD/BCF (pH 7.4): 33.87; (7)ACD/KOC (pH 5.5): 433.13; (8)ACD/KOC (pH 7.4): 433.13; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.409; (14)Molar Refractivity: 39.1 cm³; (15)Molar Volume: 158 cm³; (16)Surface Tension: 24.8 dyne/cm; (17)Density: 0.811 g/cm³; (18)Flash Point: 44.6 °C; (19)Enthalpy of Vaporization: 39.65 kJ/mol; (20)Boiling Point: 159.9 °C at 760 mmHg; (21)Vapour Pressure: 2.44 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(CC)C(CC)CC
(2) InChI: InChI=1/C8H16O/c1-4-7(5-2)8(9)6-3/h7H,4-6H2,1-3H3
(3) InChIKey: CUMYWGHHTRDNAO-UHFFFAOYAX

Product Name

4-ETHYL-3-HEXANONE

3-Hexanone, 4-ethyl- Specification

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