Cyclopentanone,2,5-dimethyl- supplier

Name
2,5-dimethylcyclopentan-1-one
EINECS 223-731-9
CAS No. 4041-09-2
Article Data28
CAS DataBase
Density 0.895g/cm³
Solubility
Melting Point
Formula C₇H₁₂O
Boiling Point 146.5 °C at 760 mmHg
Molecular Weight 112.172
Flash Point 40.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,5-Dimethylcyclopentan-1-one;2,5-Dimethylcyclopentanone;NSC 89710;
PSA 17.07000
LogP 1.62150

Cyclopentanone,2,5-dimethyl- Specification

The Cyclopentanone,2,5-dimethyl-, with CAS registry number 4041-09-2, has the systematic name of 2,5-dimethylcyclopentanone. Besides this, it is also called 2,5-dimethylcyclopentan-1-one. And the chemical formula of this chemical is C₇H₁₂O. What's more, its EINECS is 223-731-9.

Physical properties of Cyclopentanone,2,5-dimethyl-: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.66; (6)ACD/BCF (pH 7.4): 4.66; (7)ACD/KOC (pH 5.5): 104.72; (8)ACD/KOC (pH 7.4): 104.72; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.434; (14)Molar Refractivity: 32.6 cm³; (15)Molar Volume: 125.1 cm³; (16)Polarizability: 12.92×10^-24cm³; (17)Surface Tension: 25.6 dyne/cm; (18)Density: 0.895 g/cm³; (19)Flash Point: 40.6 °C; (20)Enthalpy of Vaporization: 38.35 kJ/mol; (21)Boiling Point: 146.5 °C at 760 mmHg; (22)Vapour Pressure: 4.62 mmHg at 25°C.

Preparation: this chemical can be prepared by 2,5-dimethyl-2-cyclopentenone. This reaction will need reagent O₂ and solvent H₂O. The reaction time is 24 hour(s) with reaction temperature of 27 ℃. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1C(C)CCC1C
(2)InChI: InChI=1/C7H12O/c1-5-3-4-6(2)7(5)8/h5-6H,3-4H2,1-2H3
(3)InChIKey: MKLARKDYEBNZFK-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H12O/c1-5-3-4-6(2)7(5)8/h5-6H,3-4H2,1-2H3
(5)Std. InChIKey: MKLARKDYEBNZFK-UHFFFAOYSA-N

Product Name

2,5-dimethylcyclopentan-1-one

Cyclopentanone,2,5-dimethyl- Specification

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