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7335-17-3
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Basic Information
CAS No.: 7335-17-3
Name: 3,5-DIMETHYL-4-OCTANONE
Molecular Structure:
Molecular Structure of 7335-17-3 (3,5-DIMETHYL-4-OCTANONE)
Formula: C10H20O
Molecular Weight: 156.27
Synonyms: 3,5-Dimethyl-4-octanone;
Density: 0.816 g/cm3
Boiling Point: 190.1 °C at 760 mmHg
Flash Point: 54.1 °C
PSA: 17.07000
LogP: 3.03780
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Specification

The 4-Octanone,3,5-dimethyl-, with the CAS registry number 7335-17-3, is also known as 3,5-Dimethyl-4-octanone. This chemical's molecular formula is C10H20O and molecular weight is 156.27. Its systematic name is called 3,5-dimethyloctan-4-one. The product should be sealed in cool and dry place.

Physical properties of 4-Octanone,3,5-dimethyl-: (1)ACD/LogP: 3.19; (2)ACD/LogD (pH 5.5): 3.19; (3)ACD/LogD (pH 7.4): 3.19; (4)ACD/BCF (pH 5.5): 157.62; (5)ACD/BCF (pH 7.4): 157.62; (6)ACD/KOC (pH 5.5): 1302.14; (7)ACD/KOC (pH 7.4): 1302.14; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.418; (11)Molar Refractivity: 48.32 cm3; (12)Molar Volume: 191.4 cm3; (13)Surface Tension: 25.3 dyne/cm; (14)Density: 0.816 g/cm3; (15)Flash Point: 54.1 °C; (16)Enthalpy of Vaporization: 42.63 kJ/mol; (17)Boiling Point: 190.1 °C at 760 mmHg; (18)Vapour Pressure: 0.551 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(CC)C)C(CCC)C
(2)InChI: InChI=1/C10H20O/c1-5-7-9(4)10(11)8(3)6-2/h8-9H,5-7H2,1-4H3
(3)InChIKey: HIYIOWIWNUWNKQ-UHFFFAOYAO