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BT
 

diethyl oxalate
ethanedioic acid, diethyl ester

Sponsors

CAS Number: 95-92-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 202-464-1
FDA UNII: 860M3ZWF6J
Nikkaji Web: J43.379I
Beilstein Number: 0606350
MDL: MFCD00009119
XlogP3: 0.60 (est)
Molecular Weight: 146.14250000
Formula: C6 H10 O4
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: solvents/deluents for flavor and/or fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
PubMed: Search
NCBI: Search
Flavis Number: 09.353 (Old)
DG SANTE Food Flavourings: 09.353 diethyl oxalate
FDA Mainterm: Diethyl oxalate
FDA Regulation:
FDA PART 175 -- INDIRECT FOOD ADDITIVES: ADHESIVES AND COMPONENTS OF COATINGS
Subpart B--Substances for Use Only as Components of Adhesives
Sec. 175.105 Adhesives.
 
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
Boiling Point: 113.00 to 114.00 °C. @ 50.00 mm Hg
Vapor Pressure: 0.414000 mm/Hg @ 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
 water, 3.60E+04 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: chelating agents
hair conditioning
masking agents
plasticisers
solvents
 
Suppliers:
Aceto
Diethyl Oxalate 99.0% MIN
Connect Chemicals
Diethyl Oxalate (DEOX)
Odor: characteristic
Use: Diethyl Oxalate is a chemical intermediate used in the manufacture of API and various dyes. It can be used as a solvent for a number of synthetic and natural resins. Diethyl oxalate (DEOX) is also used as a cost effective additive based in the dye-sensitized solar cells (DSSCs).
Inoue Perfumery
DIETHYL OXALATE
Penta International
DIETHYL OXALATE
Santa Cruz Biotechnology
For experimental / research use only.
Diethyl Oxalate
Sigma-Aldrich: Aldrich
For experimental / research use only.
Diethyl oxalate ≥99%
TCI AMERICA
For experimental / research use only.
Diethyl Oxalate [for Spectrophotometry] >99.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed.
R 36 - Irritating to eyes.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/39 - Wear suitable clothing and eye/face protection.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-rat LD50 1600 mg/kg
(Patty, 1963)

oral-mouse LD50 2000 mg/kg
BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 46(5), Pg. 87, 1981.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: solvents/deluents for flavor and/or fragrance agents
Recommendation for diethyl oxalate usage levels up to:
 not 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 Concern:1800 (μg/person/day)
Structure Class: I
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
 
Safety References:
European Food Safety Athority(efsa): Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 64 (FGE.64): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (57th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 evaluated by EFSA in FGE.10Rev1 (EFSA, 2008ab)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 92 (FGE.92): Consideration of aliphatic acyclic diols, triols, and related substances evaluated by JECFA (68th meeting) structurally related to aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones evaluated by EFSA in FGE.10Rev1 (2009)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 10, Revision 3 (FGE.10Rev3): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
EPI System: View
NLM Hazardous Substances Data Bank: Search
EPA Substance Registry Services (TSCA): 95-92-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 7268
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2525
WGK Germany: 1
 diethyl oxalate
Chemidplus: 0000095921
EPA/NOAA CAMEO: hazardous materials
RTECS: RO2800000 for cas# 95-92-1
 
References:
 diethyl oxalate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 95-92-1
Pubchem (cid): 7268
Pubchem (sid): 134972201
 
Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2918.19.9000
Haz-Map: View
ChemSpider: View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 chelating agents 
 hair conditioning 
 plasticisers 
 solvents 
 
Occurrence (nature, food, other): note
 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
 

Articles:

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.
 
Notes:
None found
 
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