6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one supplier

Name
6-(2-methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one
EINECS
CAS No. 51308-12-4
Density 1.081 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₆O₃
Boiling Point 334.7 °C at 760 mmHg
Molecular Weight 232.275
Flash Point 147.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(2-Methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one;
PSA
LogP

6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one Specification

The CAS registry number of 6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one is 51308-12-4. The molecular formula of it is C₁₄H₁₆O₃ and molecular weight is 232.275. Its systematic name is called 6-(2-Methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.09; (4)ACD/LogD (pH 7.4): 3.09; (5)ACD/BCF (pH 5.5): 131.64; (6)ACD/BCF (pH 7.4): 131.64; (7)ACD/KOC (pH 5.5): 1144.64; (8)ACD/KOC (pH 7.4): 1144.64; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 64.64 cm³; (14)Molar Volume: 214.8 cm³; (15)Surface Tension: 41 dyne/cm; (16)Density: 1.081 g/cm³; (17)Flash Point: 147.4 °C; (18)Enthalpy of Vaporization: 57.77 kJ/mol; (19)Boiling Point: 334.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000126 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C=CC(=O)CCCC1(C)Oc2ccccc2O1
(2)InChI: InChI=1/C14H16O3/c1-3-11(15)7-6-10-14(2)16-12-8-4-5-9-13(12)17-14/h3-5,8-9H,1,6-7,10H2,2H3
(3)InChIKey: ZNCLYFSNVGMNSC-UHFFFAOYAY

Product Name

6-(2-methyl-1,3-benzodioxol-2-yl)hex-1-en-3-one

6-(2-Methyl-1,3-benzodioxol-2-yl)-1-Hexen-3-one Specification

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