Diethyl oxalate CAS NO.95-92-1

1.Introduction of 95-92-1

Diethyl oxalate has CAS registry number of 95-92-1. Its synonyms include AKOS BBS-00004457;ethanedioic acid diethyl

1.Introduction of 95-92-1

Diethyl oxalate has CAS registry number of 95-92-1. Its synonyms include AKOS BBS-00004457;ethanedioic acid diethyl ester;ethyl oxalate;diethyl oxalate;diethyl ethanedioate;rarechem al bi 0114;oxalic acid diethyl ester. And it is used as pharmaceutical intermediates, organics, analytical chemistry, solvents for HPLC & spectrophotometry, solvents for spectrophotometry, C6 to C7, carbonyl compounds, esters, esterschromatography, alpha Sort, chemical class, D, Dalphabetic, DID - DINanalytical standards, food&beverage standards, organic acids, volatiles/ semivolatiles.

2.Properties of 95-92-1

ACD/LogP: 0.704
# of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): 0.70
ACD/LogD (pH 7.4): 0.70
ACD/BCF (pH 5.5): 2.02
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 5.5): 57.58
ACD/KOC (pH 7.4): 57.58
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
Polar Surface Area: 52.6?²
Index of Refraction: 1.411
Molar Refractivity: 33.396 cm³
Molar Volume: 134.54 cm³
Polarizability: 13.239 10-24cm³
Surface Tension: 32.1339988708496 dyne/cm
Density: 1.086 g/cm³
Flash Point: 75.556 °C
Enthalpy of Vaporization: 42.163 kJ/mol
Boiling Point: 185.399 °C at 760 mmHg
Vapour Pressure: 0.698000013828278 mmHg at 25°C

3.Structure Descriptors of 95-92-1

(1)InChI: InChI=1S/C6H10O4/c1-3-9-5(7)6(8)10-4-2/h3-4H2,1-2H3
(2)InChIKey: WYACBZDAHNBPPB-UHFFFAOYSA-N
(3)Canonical SMILES : CCOC(=O)C(=O)OCC

4.Safety Information of 95-92-1

Hazard Codes: Xn
Risk Statements: 22-36
Safety Statements: 23
RIDADR: UN 2525 6.1/PG 3
WGK Germany:
RTECS: RO2800000
HazardClass: 6.1
PackingGroup: III
Hazardous Substances Data: 95-92-1(Hazardous Substances Data)