3-Octen-2-one,7-methyl- supplier

Name
7-methyloct-3-en-2-one
EINECS 251-361-8
CAS No. 33046-81-0
Density 0.833g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₂
Boiling Point 201.4 °C at 760 mmHg
Molecular Weight 140.225
Flash Point 67.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-methyloct-3-en-2-one;(E)-7-METHYL-3-OCTEN-2-ONE;7-Methyl-3-octen-2-one
PSA 17.07000
LogP 2.56780

3-Octen-2-one,7-methyl- Specification

The 3-Octen-2-one,7-methyl-, with CAS registry number 33046-81-0, has the systematic name of 1,2-dimethoxy-3-methylbenzene. Besides this, it is also called benzene, 1,2-dimethoxy-3-methyl-. And the chemical formula of this chemical is C₉H₁₂O₂. What's more, its EINECS is 251-361-8.

Physical properties of 3-Octen-2-one,7-methyl-: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.42; (4)ACD/LogD (pH 7.4): 2.42; (5)ACD/BCF (pH 5.5): 40.34; (6)ACD/BCF (pH 7.4): 40.34; (7)ACD/KOC (pH 5.5): 490.9; (8)ACD/KOC (pH 7.4): 490.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.489; (14)Molar Refractivity: 44.43 cm³; (15)Molar Volume: 153.7 cm³; (16)Polarizability: 17.61×10^-24cm³; (17)Surface Tension: 29.5 dyne/cm; (18)Density: 0.99 g/cm³; (19)Flash Point: 67.6 °C; (20)Enthalpy of Vaporization: 41.97 kJ/mol; (21)Boiling Point: 201.4 °C at 760 mmHg; (22)Vapour Pressure: 0.438 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1c(cccc1OC)C)C
(2)InChI: InChI=1/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
(3)InChIKey: WMXFNCKPYCAIQW-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H12O2/c1-7-5-4-6-8(10-2)9(7)11-3/h4-6H,1-3H3
(5)Std. InChIKey: WMXFNCKPYCAIQW-UHFFFAOYSA-N

Product Name

7-methyloct-3-en-2-one

3-Octen-2-one,7-methyl- Specification

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