3,5-Hexadien-2-one,3-methyl-6-phenyl- supplier

Name
3-methyl-6-phenylhexa-3,5-dien-2-one
EINECS 243-123-7
CAS No. 19520-38-8
Article Data7
CAS DataBase
Density 0.996 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄O
Boiling Point 329.9 °C at 760 mmHg
Molecular Weight 186.254
Flash Point 123.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Phenyl-3-methyl-3,5-hexadien-2-one;3-Methyl-6-phenylhexa-3,5-dien-2-one;
PSA 17.07000
LogP 3.23510

3,5-Hexadien-2-one,3-methyl-6-phenyl- Specification

The 3,5-Hexadien-2-one,3-methyl-6-phenyl- is an organic compound with the formula C₁₃H₁₄O. The IUPAC name of this chemical is 3-Methyl-6-phenylhexa-3,5-dien-2-one. The CAS registry number of this chemical is 19520-38-8. Besides, its molecular weight is 186.25.

The physical properties of 3,5-Hexadien-2-one,3-methyl-6-phenyl- are: (1)ACD/LogP: 2.52; (2)ACD/LogD (pH 5.5): 2.52; (3)ACD/LogD (pH 7.4): 2.52; (4)ACD/BCF (pH 5.5): 48.39; (5)ACD/BCF (pH 7.4): 48.39; (6)ACD/KOC (pH 5.5): 559.21; (7)ACD/KOC (pH 7.4): 559.21; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.561; (12)Molar Refractivity: 60.6 cm³; (13)Molar Volume: 186.9 cm³; (14)Polarizability: 24.02×10^-24 cm³; (15)Surface Tension: 35.9 dyne/cm; (16)Density: 0.996 g/cm³; (17)Flash Point: 123.5 °C; (18)Enthalpy of Vaporization: 57.25 kJ/mol; (19)Boiling Point: 329.9 °C at 760 mmHg; (20)Vapour Pressure: 0.000172 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(=CC=Cc1ccccc1)C)C
(2)InChI: InChI=1/C13H14O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-10H,1-2H3
(3)InChIKey: CGIJXXFGNLODHX-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C13H14O/c1-11(12(2)14)7-6-10-13-8-4-3-5-9-13/h3-10H,1-2H3
(5)Std. InChIKey: CGIJXXFGNLODHX-UHFFFAOYSA-N

Product Name

3-methyl-6-phenylhexa-3,5-dien-2-one

3,5-Hexadien-2-one,3-methyl-6-phenyl- Specification

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