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40876-98-0

Basic Information
CAS No.: 40876-98-0
Name: Diethyl oxalacetate sodium salt
Article Data: 4
Molecular Structure:
Molecular Structure of 40876-98-0 (Diethyl oxalacetate sodium salt)
Formula: C8H11NaO5
Molecular Weight: 210.162
Synonyms: Butanedioicacid, oxo-, diethyl ester, ion(1-), sodium (9CI);2-(Oxo)succinic acid diethyl estermonosodium salt;Diethyl 2-hydroxy-2-butenedioate sodium salt;Diethyloxalacetate sodium salt;Diethyl oxobutanedioate sodium salt;Diethylsodiooxalacetate;Diethyl sodium oxalacetate;Oxalacetic acid diethyl estersodium salt;Sodium diethyl oxalacetate;Sodium diethyl oxaloacetate;Sodiumdiethyl oxobutanedioate;
EINECS: 255-122-9
Melting Point: 188-190 °C
Solubility: Slightly soluble in water (1.2 g/L) (25°C).
Appearance: beige to light orange crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36
Safety: 24/25
PSA: 75.66000
LogP: 0.42700
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Chemistry

IUPAC Name:  Sodium diethyl 2-oxobutanedioate (40876-98-0)
Synonyms: Ethyl sodium oxalacetate ; Ethyl sodium oxaloacetate ; Diethyl oxalacetate sodium ; Diethyl oxalacetate sodium salt;diethyl oxalo acetate sodium salt ; Diethyl oxosuccinate sodium salt;ethyl oxalacetate sodium salt ; Oxalacetic acid diethyl ester sodium salt
Product Categories: Pharmaceutical Intermediates;API intermediates
Molecular Structure:
Molecular Formula:  C8H11NaO5
Molecular Weight: 210.16
CAS:  40876-98-0
EINECS:  255-122-9
Melting point:  188-190 ºC
Flash Point: 100.3 °C 
Enthalpy of Vaporization: 58.45 kJ/mol 
Boiling Point: 265.4 °C at 760 mmHg 
Vapour Pressure: 0.00126 mmHg at 25°C 
Mol File: 40876-98-0.mol
Storage temp.  2-8°C
Sensitive:  Moisture Sensitive
BRN : 4279609
Appearance: sodium diethyl oxaloacetate (40876-98-0) is beige to light orange crystalline powder

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 9, 1953.

Safety Profile

Hazard Codes  T,Xi
Risk Statements  45-46-48/20/21/22-36-36/38
36:  Irritating to the eyes
45:  May cause cancer 
46:  May cause heritable genetic damage
48/20/21/22:  Harmful: danger of serious damage to health by prolonged exposure through inhalation, and in contact with skin and if swallowed 
36/38:  sodium diethyl oxaloacetate (40876-98-0) is irritating to eyes and skin  
Safety Statements  26-24/25-45-53
24/25:  Avoid contact with skin and eyes
26:  In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 
35:  This material and its container must be disposed of in a safe way
53:  Avoid exposure - obtain special instruction before use
WGK Germany  3
RTECS  EK0115500

Specification

1.General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
2.Extinguishing Media: Use agent most appropriate to extinguish fire. 
3.Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
4.Storage: Store sodium diethyl oxaloacetate (40876-98-0) in a cool, dry place. Keep container closed when not in use.