-
Name
CINNAMYL PROPIONATE
- EINECS 203-124-5
- CAS No. 78761-38-3
- Article Data17
- CAS DataBase
- Density 1.037 g/cm3
- Solubility
- Melting Point
- Formula C12H14O2
- Boiling Point 297.4 °C at 760 mmHg
- Molecular Weight 190.242
- Flash Point 131.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Propen-1-ol, 3-phenyl-, propanoate, (E)-;2-Propen-1-ol,3-phenyl-, propanoate, (2E)- (9CI);
- PSA 26.30000
- LogP 2.65300
2-Propen-1-ol,3-phenyl-, 1-propanoate, (2E)- Specification
The 2-Propen-1-ol,3-phenyl-, 1-propanoate, (2E)- is an organic compound with the formula C12H14O2. The systematic name of this chemical is (2E)-3-phenylprop-2-en-1-yl propanoate. With the CAS registry number 78761-38-3, it is also named as Cinnamyl propionate. The product's categories are Alphabetical Listings; C-D; Flavors and Fragrances.
Physical properties about 2-Propen-1-ol,3-phenyl-, 1-propanoate, (2E)- are: (1)ACD/LogP: 3.15; (2)ACD/LogD (pH 5.5): 3.15; (3)ACD/LogD (pH 7.4): 3.15; (4)ACD/BCF (pH 5.5): 145.78; (5)ACD/BCF (pH 7.4): 145.78; (6)ACD/KOC (pH 5.5): 1231.33; (7)ACD/KOC (pH 7.4): 1231.33; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.543; (12)Molar Refractivity: 57.81 cm3; (13)Molar Volume: 183.4 cm3; (14)Polarizability: 22.91×10-24cm3; (15)Surface Tension: 37.6 dyne/cm; (16)Density: 1.037 g/cm3; (17)Flash Point: 131.3 °C; (18)Enthalpy of Vaporization: 53.72 kJ/mol; (19)Boiling Point: 297.4 °C at 760 mmHg; (20)Vapour Pressure: 0.00136 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC/C=C/c1ccccc1)CC
(2)InChI: InChI=1/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
(3)InChIKey: KGDJMNKPBUNHGY-RMKNXTFCBG
(4)Std. InChI: InChI=1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
(5)Std. InChIKey: KGDJMNKPBUNHGY-RMKNXTFCSA-N
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