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Basic Information
CAS No.: 376-50-1
Name: DIETHYL PERFLUOROADIPATE
Molecular Structure:
Molecular Structure of 376-50-1 (DIETHYL PERFLUOROADIPATE)
Formula: C10H10 F8 O4
Molecular Weight: 346.174
Synonyms: Hexanedioic acid,octafluoro-, diethyl ester (6CI,7CI,8CI,9CI); Diethyl octafluoroadipate; Diethylperfluoroadipate
Density: 1.416g/cm3
Boiling Point: 237.1°Cat760mmHg
Flash Point: 94.5°C
Hazard Symbols:
Risk Codes: 36/37/38
Safety: May be a poison by inhalation. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of F−.
PSA: 52.60000
LogP: 2.65380
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Chemistry

 

IUPAC Name: diethyl 2,2,3,3,4,4,5,5-octafluorohexanedioate 
Empirical Formula: C10H10F8O4
Molecular Weight: 346.1712g/mol
Structure of Diethyl octafluoroadipate (CAS NO.376-50-1):

Index of Refraction: 1.353
Molar Refractivity: 53.1 cm3
Molar Volume: 244.3 cm3
Polarizability: 21.05×10-24cm3
Surface Tension: 23.1 dyne/cm
Density: 1.416 g/cm3
Flash Point: 94.5 °C
Enthalpy of Vaporization: 47.39 kJ/mol
Boiling Point: 237.1 °C at 760 mmHg
Vapour Pressure: 0.0458 mmHg at 25°C 
Canonical SMILES: CCOC(=O)C(C(C(C(C(=O)OCC)(F)F)(F)F)(F)F)(F)F
InChI: InChI=1S/C10H10F8O4/c1-3-21-5(19)7(11,12)9(15,16)10(17,18)8(13,14)6(20)22-4-2/h3-4H2,1-2H3
InChIKey: UBMQHNSEGKYMTP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD:>8400 mg/kg

     TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 12 (1971),142.
2.    

ihl-rat LC:>200 mg/m3/4H

     TPKVAL    Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 12 (1971),142.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Hazard Note: Irritant
May be a poison by inhalation. Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of F−.

Specification

 Diethyl octafluoroadipate , its cas register number is 376-50-1. It also can be called 4-02-00-01980 (Beilstein Handbook Reference) ; BRN 1807886 ; Diethyl octafluorohexanedioate ; Diethyl perfluoroadipate ; EINECS 206-810-2 . When Diethyl octafluoroadipate (CAS NO.376-50-1) is heated to decomposition it emits toxic vapors of F−. And it is irritating to eyes, respiratory system and skin. So you should wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.