CAS No.1120-73-6,2-METHYL-2-CYCLOPENTEN-1-ONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1120-73-6
Name:	2-METHYL-2-CYCLOPENTEN-1-ONE
Article Data:	14

Formula:	C₆H₈O
Molecular Weight:	96.1289
Synonyms:	2-Methyl-2-cyclopenten-1-one;2-Methyl-2-cyclopentene-1-one;2-Methyl-2-cyclopentenone;
EINECS:	627-283-9
Density:	0.996 g/cm³
Boiling Point:	157.5 °C at 760 mmHg
Flash Point:	53.1 °C
Appearance:	clear yellow liquid
Risk Codes:	10
Safety:	16-27-36/37/39
PSA:	17.07000
LogP:	1.29560

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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