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2206-94-2

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Basic Information
CAS No.: 2206-94-2
Name: alpha-methylenebenzyl acetate
Article Data: 90
Molecular Structure:
Molecular Structure of 2206-94-2 (alpha-methylenebenzyl acetate)
Formula: C10H10O2
Molecular Weight: 162.188
Synonyms: Benzenemethanol,a-methylene-, acetate (9CI);Benzyl alcohol, a-methylene-,acetate (6CI,7CI,8CI);1-Acetoxy-1-phenylethene;1-Phenylethenyl acetate;1-Phenylvinyl acetate;NSC 19194;a-Acetoxystyrene;a-Acetyloxystyrene;
EINECS: 218-620-7
Density: 1.044 g/cm3
Boiling Point: 247.6 °C at 760 mmHg
Flash Point: 84 °C
Solubility: 1.249g/L at 20℃
PSA: 26.30000
LogP: 2.22040
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    The alpha-Methylenebenzyl acetate, with the CAS registry number 2206-94-2, is also known as Benzenemethanol, alpha-methylene-, 1-acetate. Its EINECS registry number is 218-620-7. This chemical's molecular formula is C10H10O2 and molecular weigh

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Specification

The alpha-Methylenebenzyl acetate, with the CAS registry number 2206-94-2, is also known as Benzenemethanol, alpha-methylene-, 1-acetate. Its EINECS registry number is 218-620-7. This chemical's molecular formula is C10H10O2 and molecular weight is 162.1852. Its IUPAC name is called 1-phenylethenyl acetate.

Physical properties of alpha-Methylenebenzyl acetate: (1)ACD/LogP: 2.89; (2)ACD/LogD (pH 5.5): 2.89; (3)ACD/LogD (pH 7.4): 2.89; (4)ACD/BCF (pH 5.5): 92.95; (5)ACD/BCF (pH 7.4): 92.95; (6)ACD/KOC (pH 5.5): 892.23; (7)ACD/KOC (pH 7.4): 892.23; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.515; (11)Molar Refractivity: 46.85 cm3; (12)Molar Volume: 155.2 cm3; (13)Surface Tension: 34.7 dyne/cm; (14)Density: 1.044 g/cm3; (15)Flash Point: 84 °C; (16)Enthalpy of Vaporization: 48.47 kJ/mol; (17)Boiling Point: 247.6 °C at 760 mmHg; (18)Vapour Pressure: 0.0255 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC(=C)C1=CC=CC=C1
(2)InChI: InChI=1S/C10H10O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-7H,1H2,2H3
(3)InChIKey: HWCUCNKPBMGSSC-UHFFFAOYSA-N