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

Name
Cinnamylcetate
EINECS
CAS No. 21040-45-9
Article Data166
CAS DataBase
Density 1.056g/cm³
Solubility
Melting Point
Formula C₁₁H₁₂O₂
Boiling Point 264.999 °C at 760 mmHg
Molecular Weight 176.215
Flash Point 130.496 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 26.30000
LogP 2.26290

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

Product Name

Cinnamylcetate

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

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