2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)- supplier

Name
2-benzyl-3-methylcyclopent-2-en-1-one
EINECS 236-454-3
CAS No. 13380-80-8
Article Data7
CAS DataBase
Density 1.077 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄O
Boiling Point 316.9 °C at 760 mmHg
Molecular Weight 186.254
Flash Point 131 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Cyclopenten-1-one,2-benzyl-3-methyl- (8CI);2-Benzyl-3-methyl-2-cyclopenten-1-one;2-Benzyl-3-methyl-2-cyclopentenone;
PSA 17.07000
LogP 2.90850

2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)- 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

Product Name

2-benzyl-3-methylcyclopent-2-en-1-one

2-Cyclopenten-1-one,3-methyl-2-(phenylmethyl)- Specification

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