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13380-80-8

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Basic Information
CAS No.: 13380-80-8
Name: 2-benzyl-3-methylcyclopent-2-en-1-one
Article Data: 7
Molecular Structure:
Molecular Structure of 13380-80-8 (2-benzyl-3-methylcyclopent-2-en-1-one)
Formula: C13H14O
Molecular Weight: 186.254
Synonyms: 2-Cyclopenten-1-one,2-benzyl-3-methyl- (8CI);2-Benzyl-3-methyl-2-cyclopenten-1-one;2-Benzyl-3-methyl-2-cyclopentenone;
EINECS: 236-454-3
Density: 1.077 g/cm3
Boiling Point: 316.9 °C at 760 mmHg
Flash Point: 131 °C
PSA: 17.07000
LogP: 2.90850
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  • 2-BENZYL-3-METHYLCYCLOPENT-2-EN-1-ONE

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    2-BENZYL-3-METHYLCYCLOPENT-2-EN-1-ONE

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    2-BENZYL-3-METHYLCYCLOPENT-2-EN-1-ONEAppearance:white crystalline powder Storage:Store in dry, dark and ventilated place Package:25KG drum Application:intermediate Transportation:by air, by sea, by express

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Specification

The 2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)-, also known as AC1L35CI, is the organic compound with the formula C13H14O. Its EINECS registry number is 236-454-3. With the CAS registry number 13380-80-8, its IUPAC name is 2-benzyl-3-methylcyclopent-2-en-1-one.

Physical properties of 2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)-: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.76; (3)ACD/LogD (pH 7.4): 2.76; (4)ACD/BCF (pH 5.5): 73.4; (5)ACD/BCF (pH 7.4): 73.4; (6)ACD/KOC (pH 5.5): 753.49; (7)ACD/KOC (pH 7.4): 753.49; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 56.65 cm3; (12)Molar Volume: 172.7 cm3; (13)Surface Tension: 42 dyne/cm; (14)Density: 1.077 g/cm3; (15)Flash Point: 131 °C; (16)Enthalpy of Vaporization: 55.83 kJ/mol; (17)Boiling Point: 316.9 °C at 760 mmHg; (18)Vapour Pressure: 0.000398 mmHg at 25°C.

Preparation of 2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)-: this chemical can be prepared by 7-phenyl-2,5-heptanedione by heating. This reaction will need reagent aqueus sodium hydroxide and solvent ethanol. The reaction time is 6 hours. The yield is about 84%.

2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)- can be prepared by 7-phenyl-2,5-heptanedione

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)CC1)CC2=CC=CC=C2
(2)InChI: InChI=1S/C13H14O/c1-10-7-8-13(14)12(10)9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3
(3)InChIKey: CCXVNJKURYRXRY-UHFFFAOYSA-N