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2-Propen-1-ol,3-phenyl-, 1-acetate, (2E)-

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Name

2-Propen-1-ol,3-phenyl-, 1-acetate, (2E)-

EINECS N/A
CAS No. 21040-45-9 Density 1.056g/cm3
PSA 26.30000 LogP 2.26290
Solubility N/A Melting Point N/A
Formula C11H12O2 Boiling Point 264.999 °C at 760 mmHg
Molecular Weight 176.215 Flash Point 130.496 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 21040-45-9 (Cinnamylcetate) Hazard Symbols N/A
Synonyms

2-Propen-1-ol,3-phenyl-, acetate, (2E)- (9CI);2-Propen-1-ol, 3-phenyl-, acetate, (E)-;Cinnamylalcohol, acetate, (E)- (8CI);(2E)-3-Phenyl-2-propen-1-ol acetate;(E)-3-Acetoxy-1-phenyl-1-propene;(E)-3-Phenyl-2-propenyl acetate;(E)-3-Phenylallyl acetate;(E)-3-Phenylprop-2-en-1-yl acetate;(E)-Cinnamylacetate;Acetic acid (E)-3-phenyl-2-propenyl ester;trans-3-Acetoxy-1-phenyl-1-propene;trans-3-Phenyl-2-propenyl acetate;trans-Cinnamyl acetate;

Article Data 166

2-Propen-1-ol,3-phenyl-, 1-acetate, (2E)- Specification

The 2-Propen-1-ol,3-phenyl-, 1-acetate, (2E)-, with CAS registry number 21040-45-9, has the systematic name of [(E)-cinnamyl] acetate. Besides this, it is also called Acetic acid (2E)-3-phenyl-2-propenyl ester. Its molecular weight is 176.2118. And the chemical formula of this chemical is C11H12O2.

Physical properties of 2-Propen-1-ol,3-phenyl-, 1-acetate, (2E)-: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.641; (4)ACD/LogD (pH 7.4): 2.641; (5)ACD/BCF (pH 5.5): 59.833; (6)ACD/BCF (pH 7.4): 59.833; (7)ACD/KOC (pH 5.5): 650.952; (8)ACD/KOC (pH 7.4): 650.952; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 53.183 cm3; (15)Molar Volume: 166.905 cm3; (16)Polarizability: 21.083×10-24cm3; (17)Surface Tension: 38.051 dyne/cm; (18)Density: 1.056 g/cm3; (19)Flash Point: 130.496 °C; (20)Enthalpy of Vaporization: 50.29 kJ/mol; (21)Boiling Point: 264.999 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)OC/C=C/c1ccccc1
(2)InChI: InChI=1/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
(3)InChIKey: WJSDHUCWMSHDCR-VMPITWQZBM
(4)Std. InChI: InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
(5)Std. InChIKey: WJSDHUCWMSHDCR-VMPITWQZSA-N

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