Dimethyl adipate

Dimethyl adipate Basic information
Product Name:Dimethyl adipate
Synonyms:Dimethylhexaneo-lionate;hexadioic acid, dimethyl ester;DIMETHYL ADIPATE, 99+%;Dimethyl Adipate-13C6;DIBASICESTERS;dbe-6;dbe-6dibasicester(dimethyl;dbe-6dibasicester(dimethyladipate)
CAS:627-93-0
MF:C8H14O4
MW:174.19
EINECS:211-020-6
Product Categories:C8 to C9;Carbonyl Compounds;Esters;Plasticizers;Polymer Additives;Polymer Science;Fatty Acid Esters (Plasticizer);Functional Materials;Plasticizer;Ester series;solvent;627-93-0
Mol File:627-93-0.mol
Dimethyl adipate Structure
Dimethyl adipate Chemical Properties
Melting point 8 °C (lit.)
Boiling point 109-110 °C/14 mmHg (lit.)
density 1.062 g/mL at 20 °C (lit.)
vapor pressure 0.2 mm Hg ( 20 °C)
refractive index n20/D 1.428(lit.)
FEMA 4472 | DIMETHYL ADIPATE
Fp 225 °F
storage temp. Store below +30°C.
solubility <1g/l
form Liquid
color Clear
Odorat 100.00 %. mild nutty
Odor Typenutty
explosive limit0.81-8.1%(V)
Water Solubility Miscible with alcohols and ether. Immiscible with water.
Merck 14,162
JECFA Number1964
BRN 1707443
Stability:Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents.
InChIKeyUDSFAEKRVUSQDD-UHFFFAOYSA-N
LogP1.4 at 22℃
CAS DataBase Reference627-93-0(CAS DataBase Reference)
NIST Chemistry ReferenceHexanedioic acid, dimethyl ester(627-93-0)
EPA Substance Registry SystemDimethyl adipate (627-93-0)
Safety Information
Safety Statements 24/25
WGK Germany 1
RTECS AV1645000
Autoignition Temperature680 °F
TSCA Yes
HS Code 29171290
Hazardous Substances Data627-93-0(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 8191 mg/kg LD50 dermal Rabbit > 2250 mg/kg
MSDS Information
ProviderLanguage
Dimethyl hexanedioate English
SigmaAldrich English
ACROS English
ALFA English
Dimethyl adipate Usage And Synthesis
DescriptionDimethyl adipate (DMA) is a colourless and flammable liquid. It is soluble in alcohol and ether but sparingly soluble in water. DMA is incompatible with strong oxidising agents, and on decomposition, it emits carbon monoxide, irritating and toxic fumes and gases, and carbon dioxide. DMA reacts with acids, alkalis, and strong oxidants. DMA is synthesised by the esterification of adipic acid. DMA is part of a dibasic ester (DBE) blend used as a major ingredient in several paint strippers, and the DBE blends used in paint stripping formulations contain a major portion (about 90%) of DMA. DMA is used as a chemical intermediate (polymers, agrochemicals), cellulose resins, a speciality solvent (inks, coatings, adhesives), and an emollient and can also be utilised as a paint remover and plasticiser.
Chemical PropertiesDimethyl adipate is a colorless liquid. It is a fatty acid methyl ester.
UsesDimethyl adipate is used in cosmetics (in emollients and skin conditioning). It acts as a cosmetic plasticizer. It is also used in agrochemicals and dye as well as a precursor for the preparation of active pharmaceutical ingredients. Further, it serves as a polymer intermediate. In addition to this, it is employed as a solvent for paint stripping and resins.
UsesDimethyl adipate is used in cosmetics (in emollients and skin conditioning).It is used as a plasticizer for cellulose-type resins and a finish remover.It is also used in agrochemicals and dye as well as a precursor for the preparation of active pharmaceutical ingredients. Further, it serves as a polymer intermediate. In addition to this, it is employed as a solvent for paint stripping and resins.
Production MethodsDimethyl adipate is manufactured via esterification of adipic acid and methanol in the presence of an acid catalyst.
DefinitionChEBI: Dimethyl adipate is a fatty acid methyl ester.
General DescriptionColorless liquid.
Air & Water ReactionsFlammable. Hydrolyzed by strong mineral acids and strong alkalis.
Reactivity ProfileDimethyl adipate is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.
Health HazardExposures to dimethyl adipate cause toxicity and adverse health effects in laboratory animals and humans. Workplace exposures to dimethyl adipate by inhalation, ingestion, or skin absorption cause harmful and irritation effects to users.
Health HazardMay be harmful by inhalation, ingestion, or skin absorption. May cause irritation.
Flammability and ExplosibilityNonflammable
Safety ProfileModerately toxic by intraperitoneal route. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes.
SynthesisDimethyl adipate was synthesized by immobilized Candida antarctica lipase B-catalyzed esterification of adipic acid and methanol.
Synthesis of Diethyl Adipate
According to the general procedure described above, Dimethyl adipate has been synthesized from adipic acid (730mg, 5 mmol) and methanol (10 ml). Yield: 9%.
1H NMR (400.1 MHz, CDCl3): δ = 3.56 (6H, s, H1-H10), 2.23 (4H, m, H4-H7), 1.56 (4H, m, H5-H6).
13C NMR (100.5 MHz, CDCl3): δ = 173.4 (C3-C8), 51.2 (C1-C10), 33.4 (C4-C7), 24.1 (C5-C6)
https://pubmed.ncbi.nlm.nih.gov/20632329/
CarcinogenicityIn a chronic inhalation toxicity study of dimethyl adipate, groups of male and female rats were exposed to 400 mg/m3 of dimethyl adipate over a 90-day period. Focal respiratory metaplasia of the olfactory epithelium was found. These nonneoplastic lesions were minimal to mild in severity .
PrecautionsDuring handling of dimethyl adipate, occupational workers should be careful and use self-contained breathing apparatus, rubber boots, and heavy rubber gloves and avoid prolonged period of exposures. Workers should avoid contact of dimethyl adipate with skin, eyes and nose.
DIMETHYL OCTAFLUOROADIPATE Dacthal DIMETHYL PIMELATE DBE-2SPG DIBASIC ESTER (MIXTURE OF DIMETHYL GLUTARATE + DIMETHYL ADIPATE) Dimethyl adipate Dimethyl oxalate BIS(1H,1H,7H-PERFLUOROHEPTYL)DICAMPHORATE DIMETHYL ADIPATE/DIMETHYL GLUTARATE/DIMETHYL SUCCINATE DIMETHYL 2-METHYLADIPATE RUBRATOXIN B DIMETHYL ADIPATE, (ADIPIC ACID DIMETHYL ESTER) DIMETHYL ADIPIMIDATE DIHYDROCHLORIDE Diethyl succinosuccinate Cyclobutane-1,2,3,4-tetracarboxylic dianhydride Dibasic ester mixture, Mixture of dimethyl adipate and dimethyl glutarate Dimethyl sebacate Hexanedioic acid, dimethyl ester, polymer with dimethyl butanedioate, dimethyl pentanedioate, 2,2'-oxybis[ethanol] and 1,2,3-propanetriol DIMETHYL 3-OXOADIPATE

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