2-Cyclohexen-1-one,6-acetyl-3-methyl- supplier

Name
6-ACETYL-3-METHYL-2-CYCLOHEXENE-1-ONE
EINECS
CAS No. 51742-11-1
Article Data3
CAS DataBase
Density 1.046 g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₂
Boiling Point 264.5 °C at 760 mmHg
Molecular Weight 152.193
Flash Point 97.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Acetyl-3-methyl-2-cyclohexen-1-one;NSC 75758;
PSA 34.14000
LogP 1.50080

2-Cyclohexen-1-one,6-acetyl-3-methyl- Specification

The 2-Cyclohexen-1-one, 6-acetyl-3-methyl-, with the CAS registry number 51742-11-1, is also known as 6-Acetyl-3-methyl-2-cyclohexene-1-one. This chemical's molecular formula is C₉H₁₂O₂ and molecular weight is 152.19. What's more, its IUPAC name is 6-Acetyl-3-methylcyclohex-2-en-1-one.

Physical properties about 2-Cyclohexen-1-one, 6-acetyl-3-methyl- are: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.14 Å²; (7)Index of Refraction: 1.479; (8)Molar Refractivity: 41.31 cm³; (9)Molar Volume: 145.4 cm³; (10)Polarizability: 16.37×10^-24 cm³; (11)Surface Tension: 34.6 dyne/cm; (12)Density: 1.046 g/cm³; (13)Flash Point: 97.8 °C; (14)Enthalpy of Vaporization: 50.24 kJ/mol; (15)Boiling Point: 264.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00965 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C=C(/CCC1C(=O)C)C
(2) InChI: InChI=1/C9H12O2/c1-6-3-4-8(7(2)10)9(11)5-6/h5,8H,3-4H2,1-2H3
(3) InChIKey: CRHGSBGMOSDOKP-UHFFFAOYAO

Product Name

6-ACETYL-3-METHYL-2-CYCLOHEXENE-1-ONE

2-Cyclohexen-1-one,6-acetyl-3-methyl- Specification

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