2-Propanone,1-cyclopentyl- supplier

Name
CYCLOPENTYLACETONE
EINECS
CAS No. 1122-98-1
Article Data18
CAS DataBase
Density 0.902 g/cm³
Solubility
Melting Point
Formula C₈H₁₄O
Boiling Point 166.418 °C at 760 mmHg
Molecular Weight 126.199
Flash Point 54.235 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Propanone,cyclopentyl- (6CI,7CI);1-Cyclopentyl-2-propanone;3-Cyclopentylpropanone;Cyclopentyl-2-propanone;Cyclopentylacetone;NSC 60396;
PSA 17.07000
LogP 2.15570

2-Propanone,1-cyclopentyl- Specification

The 2-Propanone,1-cyclopentyl- is an organic compound with the formula C₈H₁₄O. The systematic name of this chemical is 1-cyclopentylpropan-2-one. With the CAS registry number 1122-98-1, it is also named as 1-cyclopentylacetone.

Physical properties about 2-Propanone,1-cyclopentyl- are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.913; (3)ACD/LogD (pH 7.4): 1.913; (4)ACD/BCF (pH 5.5): 16.738; (5)ACD/BCF (pH 7.4): 16.738; (6)ACD/KOC (pH 5.5): 261.543; (7)ACD/KOC (pH 7.4): 261.543; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å²; (11)Index of Refraction: 1.442; (12)Molar Refractivity: 37.048 cm³; (13)Molar Volume: 139.914 cm³; (14)Polarizability: 14.687×10^-24cm³; (15)Surface Tension: 30.638 dyne/cm; (16)Density: 0.902 g/cm³; (17)Flash Point: 54.235 °C; (18)Enthalpy of Vaporization: 40.29 kJ/mol; (19)Boiling Point: 166.418 °C at 760 mmHg; (20)Vapour Pressure: 1.786 mmHg at 25°C.

Preparation: this chemical can be prepared by cyclopentane and O-O-t-Butyl O-isopropenyl peroxycarbonate. The reaction time is 2.5 hours with reaction temperature of 130 °C. The yield is about 57%.

Uses of 2-Propanone,1-cyclopentyl-: it can be used to produce 1-bromo-3-cyclopentyl-propan-2-one at temperature of 15 - 20 °C. It will need reagents Br₂, H₂O and solvent methanol. The yield is about 95%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)CC1CCCC1
(2)InChI: InChI=1/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3
(3)InChIKey: YYJCNNFQNIAISZ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H14O/c1-7(9)6-8-4-2-3-5-8/h8H,2-6H2,1H3
(5)Std. InChIKey: YYJCNNFQNIAISZ-UHFFFAOYSA-N

Product Name

CYCLOPENTYLACETONE

2-Propanone,1-cyclopentyl- Specification

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