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2-Cyclopenten-1-one,2-methyl-

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Name

2-Cyclopenten-1-one,2-methyl-

EINECS 627-283-9
CAS No. 1120-73-6 Density 0.996 g/cm3
PSA 17.07000 LogP 1.29560
Solubility N/A Melting Point N/A
Formula C6H8O Boiling Point 157.5 °C at 760 mmHg
Molecular Weight 96.1289 Flash Point 53.1 °C
Transport Information N/A Appearance clear yellow liquid
Safety 16-27-36/37/39 Risk Codes 10
Molecular Structure Molecular Structure of 1120-73-6 (2-METHYL-2-CYCLOPENTEN-1-ONE) Hazard Symbols N/A
Synonyms

2-Methyl-2-cyclopenten-1-one;2-Methyl-2-cyclopentene-1-one;2-Methyl-2-cyclopentenone;

Article Data 14

2-Cyclopenten-1-one,2-methyl- Specification

The 2-Cyclopenten-1-one,2-methyl- is an organic compound with the formula C6H8O. The systematic name of this chemical is 2-methylcyclopent-2-en-1-one. With the CAS registry number 1120-73-6, it is also named as 2-Methyl-2-cyclopentenone. The product's categories are C3 to C6; Carbonyl Compounds; Ketones. Besides, it is clear yellow liquid, which should be stored at temperature of 4 °C.

Physical properties about 2-Cyclopenten-1-one,2-methyl- are: (1)ACD/LogP: 0.54; (2)ACD/LogD (pH 5.5): 0.54; (3)ACD/LogD (pH 7.4): 0.54; (4)ACD/BCF (pH 5.5): 1.51; (5)ACD/BCF (pH 7.4): 1.51; (6)ACD/KOC (pH 5.5): 46.7; (7)ACD/KOC (pH 7.4): 46.7; (8)#H bond acceptors: 1; (9)Polar Surface Area: 17.07 Å2; (10)Index of Refraction: 1.481; (11)Molar Refractivity: 27.49 cm3; (12)Molar Volume: 96.4 cm3; (13)Polarizability: 10.9×10-24cm3; (14)Surface Tension: 32.1 dyne/cm Density: 0.996 g/cm3; (15)Flash Point: 53.1 °C; (16)Enthalpy of Vaporization: 39.42 kJ/mol; (17)Boiling Point: 157.5 °C at 760 mmHg; (18)Vapour Pressure: 2.74 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-acetoxy-3-methylpent-1-en-4-yne. This reaction will need reagent HOAc, catalyst PdCl2(MeCN)2 and solvent acetonitrile. The reaction temperature is 60 - 80 °C. The yield is about 61%.

Uses of 2-Cyclopenten-1-one,2-methyl-: it can be used to produce 1-allyl-2-methyl-cyclopent-2-enol at temperature of 20 °C. It will need reagent In, TMSCl and solvent tetrahydrofuran with reaction time of 0.5 hours. The yield is about 62%.

When you are using this chemical, please be cautious about it as the following:
It is flammable. Please keep away from sources of ignition - No smoking and take off immediately all contaminated clothing. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C(=C/CC1)C
(2)InChI: InChI=1/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
(3)InChIKey: ZSBWUNDRDHVNJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3
(5)Std. InChIKey: ZSBWUNDRDHVNJL-UHFFFAOYSA-N

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