2-Propionylcyclohexane-1,3-dione supplier

Name
2-Propionylcyclohexane-1,3-dione
EINECS
CAS No. 104775-30-6
Article Data4
CAS DataBase
Density 1.143 g/cm³
Solubility
Melting Point
Formula C₉H₁₂O₃
Boiling Point 321.031 °C at 760 mmHg
Molecular Weight 168.192
Flash Point 136.967 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Cyclohexanedione, 2-(1-oxopropyl)-;
PSA 51.21000
LogP 0.90380

2-Propionylcyclohexane-1,3-dione Specification

The 2-Propionylcyclohexane-1,3-dione, with the CAS registry number 104775-30-6, is also known as 1,3-Cyclohexanedione, 2-(1-oxopropyl)-. This chemical's molecular formula is C₉H₁₂O₃ and molecular weight is 168.1898. Its systematic name is called 2-propanoylcyclohexane-1,3-dione.

Physical properties of 2-Propionylcyclohexane-1,3-dione: (1)ACD/LogP: -0.69; (2)ACD/LogD (pH 5.5): -2; (3)ACD/LogD (pH 7.4): -3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.479; (11)Molar Refractivity: 41.77 cm³; (12)Molar Volume: 147.206 cm³; (13)Surface Tension: 41.832 dyne/cm; (14)Density: 1.143 g/cm³; (15)Flash Point: 136.967 °C; (16)Enthalpy of Vaporization: 56.275 kJ/mol; (17)Boiling Point: 321.031 °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(CC)C1C(=O)CCCC1=O
(2)InChI: InChI=1/C9H12O3/c1-2-6(10)9-7(11)4-3-5-8(9)12/h9H,2-5H2,1H3
(3)InChIKey: DVLHCJHTXAHANV-UHFFFAOYAA

Product Name

2-Propionylcyclohexane-1,3-dione

2-Propionylcyclohexane-1,3-dione Specification

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