Cyclopentanone,2,2,5-trimethyl- supplier

Name
2,2,5-TRIMETHYLCYCLOPENTANONE
EINECS
CAS No. 4573-09-5
Article Data3
CAS DataBase
Density 0.878 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O
Boiling Point 152 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 45.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2,5-Trimethylcyclopentanone;NSC 179392;
PSA 17.07000
LogP 2.01160

Cyclopentanone,2,2,5-trimethyl- Specification

The Cyclopentanone,2,2,5-trimethyl-, with the CAS registry number 4573-09-5, is also known as 2,2,5-Trimethylcyclopentanone. This chemical's molecular formula is C₈H₁₄O and molecular weight is 126.1962. What's more, its IUPAC name is 2,2,5-Trimethylcyclopentan-1-one.

Physical properties about Cyclopentanone,2,2,5-trimethyl- are: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 12.01; (6)ACD/BCF (pH 7.4): 12.01; (7)ACD/KOC (pH 5.5): 206.18; (8)ACD/KOC (pH 7.4): 206.18; (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: 1.431; (14)Molar Refractivity: 37.21 cm³; (15)Molar Volume: 143.6 cm³; (16)Polarizability: 14.75×10^-24 cm³; (17)Surface Tension: 24.7 dyne/cm; (18)Density: 0.878 g/cm³; (19)Flash Point: 45.4 °C; (20)Enthalpy of Vaporization: 38.88 kJ/mol; (21)Boiling Point: 152 °C at 760 mmHg; (22)Vapour Pressure: 3.57 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(C)(C)CCC1C
(2) InChI: InChI=1/C8H14O/c1-6-4-5-8(2,3)7(6)9/h6H,4-5H2,1-3H3
(3) InChIKey: KWJHOYYJYPCTBS-UHFFFAOYAR

Product Name

2,2,5-TRIMETHYLCYCLOPENTANONE

Cyclopentanone,2,2,5-trimethyl- Specification

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