2-Benzoylcyclohexane-1,3-dione supplier

Name
2-Benzoylcyclohexane-1,3-dione
EINECS
CAS No. 69629-50-1
Article Data7
CAS DataBase
Density 1.225 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₂O₃
Boiling Point 405.16 °C at 760 mmHg
Molecular Weight 216.236
Flash Point 177.23 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Cyclohexanedione, 2-benzoyl-;
PSA 51.21000
LogP 1.80760

2-Benzoylcyclohexane-1,3-dione Specification

The 2-Benzoylcyclohexane-1,3-dione, with the CAS registry number 69629-50-1, is also known as 1,3-Cyclohexanedione, 2-benzoyl-. This chemical's molecular formula is C₁₃H₁₂O₃ and molecular weight is 216.2326. Its systematic name is called 2-(phenylcarbonyl)cyclohexane-1,3-dione.

Physical properties of 2-Benzoylcyclohexane-1,3-dione: (1)ACD/LogP: 0.10; (2)ACD/LogD (pH 5.5): -1; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.566; (11)Molar Refractivity: 57.577 cm³; (12)Molar Volume: 176.463 cm³; (13)Surface Tension: 49.505 dyne/cm; (14)Density: 1.225 g/cm³; (15)Flash Point: 177.23 °C; (16)Enthalpy of Vaporization: 65.671 kJ/mol; (17)Boiling Point: 405.16 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C2C(=O)CCCC2=O
(2)InChI: InChI=1/C13H12O3/c14-10-7-4-8-11(15)12(10)13(16)9-5-2-1-3-6-9/h1-3,5-6,12H,4,7-8H2
(3)InChIKey: QMNFICMPAXFAPC-UHFFFAOYAP

Product Name

2-Benzoylcyclohexane-1,3-dione

2-Benzoylcyclohexane-1,3-dione Specification

Related Products

Hot Products