Benzaldehyde,4-(2-oxo-2-phenylethoxy)- supplier

Name
4-(2-OXO-2-PHENYLETHOXY)BENZALDEHYDE
EINECS
CAS No. 139484-40-5
Article Data9
CAS DataBase
Density 1.195g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂O₃
Boiling Point 429 °C at 760 mmHg
Molecular Weight 240.258
Flash Point 193 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(2-oxo-2-phenylethoxy)benzaldehyde(SALTDATA: FREE)
PSA 43.37000
LogP 2.76080

Benzaldehyde,4-(2-oxo-2-phenylethoxy)- Specification

The Benzaldehyde,4-(2-oxo-2-phenylethoxy)-, with CAS registry number 139484-40-5, has the systematic name of 4-(2-oxo-2-phenylethoxy)benzaldehyde. Its molecular weight is 240.254. And the chemical formula of this chemical is C₁₅H₁₂O₃.

Physical properties of Benzaldehyde,4-(2-oxo-2-phenylethoxy)-: (1)ACD/LogP: 2.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.78; (4)ACD/LogD (pH 7.4): 2.78; (5)ACD/BCF (pH 5.5): 76.11; (6)ACD/BCF (pH 7.4): 76.11; (7)ACD/KOC (pH 5.5): 773.28; (8)ACD/KOC (pH 7.4): 773.28; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 69.28 cm³; (15)Molar Volume: 201 cm³; (16)Polarizability: 27.46×10^-24cm³; (17)Surface Tension: 48.1 dyne/cm; (18)Density: 1.195 g/cm³; (19)Flash Point: 193 °C; (20)Enthalpy of Vaporization: 68.42 kJ/mol; (21)Boiling Point: 429 °C at 760 mmHg; (22)Vapour Pressure: 1.45E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2ccc(OCC(=O)c1ccccc1)cc2
(2)InChI: InChI=1/C15H12O3/c16-10-12-6-8-14(9-7-12)18-11-15(17)13-4-2-1-3-5-13/h1-10H,11H2
(3)InChIKey: DUFOKNRIMNOESJ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C15H12O3/c16-10-12-6-8-14(9-7-12)18-11-15(17)13-4-2-1-3-5-13/h1-10H,11H2
(5)Std. InChIKey: DUFOKNRIMNOESJ-UHFFFAOYSA-N

Product Name

4-(2-OXO-2-PHENYLETHOXY)BENZALDEHYDE

Benzaldehyde,4-(2-oxo-2-phenylethoxy)- Specification

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