Ethanone,2,2-dihydroxy-1-(4-phenoxyphenyl)- supplier

Name
4-PHENOXYPHENYLGLYOXAL HYDRATE
EINECS
CAS No. 92254-55-2
Density 1.306±0.06 g/cm3(Predicted)
Solubility
Melting Point
Formula C₁₄H₁₀O₃
Boiling Point 417.5 °C at 760 mmHg
Molecular Weight 244.24
Flash Point 206.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,2,2-dihydroxy-4'-phenoxy- (7CI);oxo(4-phenoxyphenyl)acetaldehyde hydrate;2-oxo-2-(4-phenoxyphenyl)acetaldehyde;Oxo(4-phenoxyphenyl)acetaldehyde hydrate (1:1);Oxo-(4-phenoxy-phenyl)-acetaldehyde, hydrate;4-Phenoxyphenylglyoxal hydrate;
PSA 66.76000
LogP 1.97230

Ethanone,2,2-dihydroxy-1-(4-phenoxyphenyl)- Specification

The Ethanone,2,2-dihydroxy-1-(4-phenoxyphenyl)-, with the CAS registry number 92254-55-2, has the systematic name of oxo(4-phenoxyphenyl)acetaldehyde hydrate. It is also called 2-oxo-2-(4-phenoxyphenyl)acetaldehyde. And the molecular formula of the chemical is C₁₄H₁₀O₃.

The characteristics of Ethanone,2,2-dihydroxy-1-(4-phenoxyphenyl)- are as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.81; (4)ACD/LogD (pH 7.4): 1.81; (5)ACD/BCF (pH 5.5): 14.04; (6)ACD/BCF (pH 7.4): 14.04; (7)ACD/KOC (pH 5.5): 230.6; (8)ACD/KOC (pH 7.4): 230.6; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å²; (13)Flash Point: 206.3 °C; (14)Enthalpy of Vaporization: 70.73 kJ/mol; (15)Boiling Point: 417.5 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O.O=CC(=O)c2ccc(Oc1ccccc1)cc2
(2)InChI: InChI=1/C14H10O3.H2O/c15-10-14(16)11-6-8-13(9-7-11)17-12-4-2-1-3-5-12;/h1-10H;1H2
(3)InChIKey: AVDIBXWPGWASQM-UHFFFAOYAU

Product Name

4-PHENOXYPHENYLGLYOXAL HYDRATE

Ethanone,2,2-dihydroxy-1-(4-phenoxyphenyl)- Specification

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