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24401-36-3

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Basic Information
CAS No.: 24401-36-3
Name: 2-phenyl-4-pentenal
Article Data: 25
Molecular Structure:
Molecular Structure of 24401-36-3 (2-phenyl-4-pentenal)
Formula: C11H12O
Molecular Weight: 160.216
Synonyms: 4-Pentenal,2-phenyl- (8CI);Benzeneacetaldehyde, a-2-propenyl- (9CI);2-Phenyl-4-pentenal;2-phenylpent-4-enal;4-Pentenal, 2-phenyl-;benzeneacetaldehyde, α-2-propen-1-yl-;
EINECS: 246-224-4
Density: 0.971 g/cm3
Boiling Point: 240.4 °C at 760 mmHg
Flash Point: 108.6 °C
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Specification

The Benzeneacetaldehyde, α-2-propen-1-yl-, with the CAS registry number 24401-36-3 and EINECS registry number 246-224-4, has the systematic name of 2-phenylpent-4-enal. And the molecular formula of this chemical is C11H12O. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Benzeneacetaldehyde, α-2-propen-1-yl- are as following: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.93; (4)ACD/LogD (pH 7.4): 2.93; (5)ACD/BCF (pH 5.5): 99.76; (6)ACD/BCF (pH 7.4): 99.76; (7)ACD/KOC (pH 5.5): 938.58; (8)ACD/KOC (pH 7.4): 938.58; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 49.61 cm3; (15)Molar Volume: 164.9 cm3; (16)Polarizability: 19.66×10-24cm3; (17)Surface Tension: 34.5 dyne/cm; (18)Density: 0.971 g/cm3; (19)Flash Point: 108.6 °C; (20)Enthalpy of Vaporization: 47.74 kJ/mol; (21)Boiling Point: 240.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0379 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(c1ccccc1)C/C=C
(2)InChI: InChI=1/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2
(3)InChIKey: PBWQZEMADHTUIF-UHFFFAOYAW