Identification

Namediethyl oxalate
CAS Number95-92-1
EINECS202-464-1
FDA UNII860M3ZWF6J
Molecular FormulaC6 H10 O4
Molecular Weight146.14250000
MDL NumberMFCD00009119
Nikkaji NumberJ43.379I
Beilstein0606350
XlogP30.60 (est)

Regulatory

DG SANTE Food Flavourings09.353 diethyl oxalate
FDA Mainterm (IAUFC)95-92-1 ; DIETHYL OXALATE
FDA RegulationFDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.07600 to 1.08200 @ 25.00 °C.
Pounds per Gallon - (est). 8.953 to 9.003
Refractive Index 1.40700 to 1.41300 @ 20.00 °C.
Melting Point -41.00 to -40.00 °C. @ 760.00 mm Hg
Boiling Point 185.70 °C. @ 760.00 mm Hg, 113.00 to 114.00 °C. @ 50.00 mm Hg
Vapor Pressure 0.414000 mmHg @ 25.00 °C.
Vapor Density 5.03 ( Air = 1 )
Flash Point 168.00 °F. TCC ( 75.56 °C. )
logP (o/w) 0.560
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Useschelating agents

No sensory data available

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 1600 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categorysolvents/deluents for flavor and/or fragrance agents
Recommendation for diethyl oxalate usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)3900 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)7.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)5.00000
Edible ices, including sherbet and sorbet (03.0)10.00000
Processed fruit (04.1)7.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)10.00000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)5.00000
Bakery wares (07.0)10.00000
Meat and meat products, including poultry and game (08.0)2.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)2.00000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)5.00000
Foodstuffs intended for particular nutritional uses (13.0)10.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)5.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)10.00000
Ready-to-eat savouries (15.0)20.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)5.00000

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Potential Uses

chelating agents hair conditioning plasticisers solvents

Natural Occurrence

not found in nature

Synonyms

diethyl ethane dioate diethyl ethane-1,2-dioate diethyl ethanedioate diethyloxalate ethane dioic acid diethyl ester ethanedioic acid diethyl ester ethanedioic acid, diethyl ester ethyl oxalate oxalic acid diethyl ester oxalic acid, diethyl ester oxalic ether PubMed: β-Pyrazino-fused tetrarylporphyrins. PubMed: 3,4-Dihydroxy-1,6-bis(4-methoxyphenyl)hexa-2,4-diene-1,6-dione, its 4-methylphenyl analogue, and a potassium salt of 2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enoic acid. PubMed: The effect of fluorine atom on the synthesis and composition of gametocidal ethyl oxanilates. PubMed: Reactivity of 2-ethoxyquinazolin- 4-yl hydrazine and its use in synthesis of novel quinazoline derivatives of antimicrobial activity. PubMed: Transesterification of diethyl oxalate with phenol over sol-gel MoO(3)/TiO(2) catalysts. PubMed: New modulated design and synthesis of chiral CuII/SnIV bimetallic potential anticancer drug entity: in vitro DNA binding and pBR322 DNA cleavage activity. PubMed: Design and synthesis of some new thiophene, thienopyrimidine and thienothiadiazine derivatives of antipyrine as potential antimicrobial agents. PubMed: Xylitol production from DEO hydrolysate of corn stover by Pichia stipitis YS-30. PubMed: Mono- and dicarbonyl-bridged tricyclic heterocyclic acceptors: synthesis and electronic properties. PubMed: (Z)-Ethyl 2-oxo-3-(1,2-dihydroquinolin-2-yl-idene)propano-ate. PubMed: A new class of anticonvulsants possessing 6 Hz activity: 3,4-dialkyloxy thiophene bishydrazones. PubMed: Conformational properties, chiroptical spectra, and molecular self-assembly of 2,3-piperazinodiones and their dithiono analogues. PubMed: Host-guest interaction in a thiourea-dimethyl oxalate (2/1) complex at 300 and 100 K. PubMed: Synthesis of highly substituted enantiopure piperazines and ketopiperazines from vicinal N-sulfinyl diamines. PubMed: Practical formal total synthesis of (rac)- and (S)-camptothecin. PubMed: Unambiguous synthesis and prophylactic antimalarial activities of imidazolidinedione derivatives. PubMed: Highly efficient preparation of aryl beta-diketo acids with tert-butyl methyl oxalate. PubMed: A sensitive and robust method for obtaining intermolecular NOEs between side chains in large protein complexes. PubMed: Synthesis and quantitative structure-activity relationships of oxanilates as chemical hybridizing agents for wheat (Triticum aestivum L.). PubMed: Efficient synthesis and hydrolysis of cyclic oxalate esters of glycols. PubMed: Synthesis of heterocyclic quinones containing bridgehead nitrogen atom from 2-aminonaphtho[2,3-d]thiazole-4,9-dione. PubMed: Novel steroid spiro enones: condensation of prednisolone derivatives with diethyl oxalate. PubMed: Synthesis and biodistribution of new oxo and nitrido 99mTc complexes with asymmetrical potentially dianionic or trianionic tetradentate SNNO ligands derived from methyl-2-aminocyclopentene-1-dithiocarboxylic acid. PubMed: Reactions of 3-aminopyrazole derivatives with cyanothioacetamide and its derivatives: Synthesis and reactions of several new pyrazole and pyrazole[3,2-b]pyrimidine derivatives. PubMed: Synthesis of biologically active [2.2]paracyclophanes. PubMed: Reactions of 4-aryl-1-hydrazinophthalazines with carbonyl compounds. PubMed: cis-1,3,4,6,7,11b-Hexahydro-2-methyl-7-phenyl-2H-pyrazino[2,1-a] isoquinoline: a new atypical antidepressant. PubMed: New cyclopenta[a]naphthalene derivatives. Synthesis of 2-(carbamylmethyl)-8-hydroxy-3H-cyclopental[a]naphthalene as a possible deoxyribonucleic acid binding agent. PubMed: [Chrysotile fiber count in asbestos-cement board plants (author's transl)]. PubMed: [Reaction of ketone-group-containing compounds with diethyl oxalate and analytic application of the reaction. 3. Alicyclic ketones and compounds containing more than one ketone group]. PubMed: [Reactions of gamma-keto-alcohols with diethyl oxalate (author's transl)]. PubMed: Analysis of steroids. XVII. A differential spectrophotometric variant of the diethyl oxalate method for the determination of ketosteroid contaminants. PubMed: [Reaction of diethyl oxalate with compounds containing a ketone group and analytical applications of this reaction. II. Aliphatic and aromatic ketones]. PubMed: [Reaction of diethyl oxalate with compounds containing a ketone group and analytical application of this reaction. I. Determination of optimum parameters for the reaction]. PubMed: Diethyl oxalate as new reagent for spectrophotometric determination of ketosteroids.