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7495-45-6

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Basic Information
CAS No.: 7495-45-6
Name: diphenylethoxy-aceticaci
Molecular Structure:
Molecular Structure of 7495-45-6 (diphenylethoxy-aceticaci)
Formula: C16H16 O3
Molecular Weight: 256.301
Synonyms: Aceticacid, ethoxydiphenyl- (6CI,7CI,8CI); 2-Ethoxy-2,2-diphenylacetic acid;Ethoxydiphenylacetic acid; NSC 407713
Density: 1.163g/cm3
Melting Point: 114.5°C
Boiling Point: 390.6°C at 760 mmHg
Flash Point: 142.2°C
Safety: Moderately toxic by ingestion, intravenous, and subcutaneous routes. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 46.53000
LogP: 3.05130
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Chemistry

Empirical Formula of Ethoxydiphenylacetic acid (CAS NO.7495-45-6): C16H16O3
Molecular Weight: 256.2964 
Index of Refraction: 1.57
Density: 1.163 g/cm3
Flash Point: 142.2 °C
Enthalpy of Vaporization: 67.51 kJ/mol
Boiling Point: 390.6 °C at 760 mmHg
Vapour Pressure: 8.41E-07 mmHg at 25 °C
Structure of Ethoxydiphenylacetic acid (CAS NO.7495-45-6):
                      
IUPAC Name: 2-Ethoxy-2,2-diphenylacetic acid
Canonical SMILES: CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI: InChI=1S/C16H16O3/c1-2-19-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKey: SEUTWLXKEMEBTR-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1 g/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 116 (1958),154.
2.    

ivn-rat LD50:600 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 116 (1958),154.
3.    

orl-mus LD50:600 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 116 (1958),154.
4.    

scu-mus LD50:580 mg/kg

     AIPTAK    Archives Internationales de Pharmacodynamie et de Therapie. 116 (1958),154.

Safety Profile

Moderately toxic by ingestion, intravenous, and subcutaneous routes. When heated to decomposition Ethoxydiphenylacetic acid (CAS NO.7495-45-6) emits acrid smoke and irritating fumes.

Specification

 Ethoxydiphenylacetic acid , its cas register number is 7495-45-6. It also can be called Acetic acid, diphenylethoxy- ; alpha-Ethoxy-alpha-phenylbenzeneacetic acid ; Benzeneacetic acid, alpha-ethoxy-alpha-phenyl- (9CI) ; and Acide diphenylethoxyacetique .