Dimethyl adipate CAS 627-93-0
Introduction：Basic information about Dimethyl adipate CAS 627-93-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
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 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 | n |
| FEMA | 4472 | DIMETHYL ADIPATE |
| Fp | 225 °F |
| storage temp. | Store below +30°C. |
| solubility | <1g/l |
| form | Liquid |
| color | Clear |
| Odor | at 100.00 %. mild nutty |
| Odor Type | nutty |
| explosive limit | 0.81-8.1%(V) |
| Water Solubility | Miscible with alcohols and ether. Immiscible with water. |
| Merck | 14,162 |
| JECFA Number | 1964 |
| BRN | 1707443 |
| Stability: | Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents. |
| Cosmetics Ingredients Functions | SOLVENT PLASTICISER SKIN CONDITIONING - EMOLLIENT |
| Cosmetic Ingredient Review (CIR) | Dimethyl adipate (627-93-0) |
| InChI | 1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3 |
| InChIKey | UDSFAEKRVUSQDD-UHFFFAOYSA-N |
| SMILES | COC(=O)CCCCC(=O)OC |
| LogP | 1.4 at 22℃ |
| CAS DataBase Reference | 627-93-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Hexanedioic acid, dimethyl ester(627-93-0) |
| EPA Substance Registry System | Dimethyl adipate (627-93-0) |
Safety Information
| Safety Statements | 24/25 |
| WGK Germany | 1 |
| RTECS | AV1645000 |
| Autoignition Temperature | 680 °F |
| TSCA | TSCA listed |
| HS Code | 29171290 |
| Storage Class | 10 - Combustible liquids |
| Hazardous Substances Data | 627-93-0(Hazardous Substances Data) |
| Toxicity | LD50 orally in Rabbit: 8191 mg/kg LD50 dermal Rabbit > 2250 mg/kg |
| Description | Dimethyl adipate (DMA) is a colourless and flammable liquid. It is soluble in alcohol andether 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 synthesisedby the esterification of adipic acid. DMA is part of a dibasic ester (DBE) blendused as a major ingredient in several paint strippers, and the DBE blends used in paintstripping formulations contain a major portion (about 90%) of DMA. DMA is used asa chemical intermediate (polymers, agrochemicals), cellulose resins, a speciality solvent(inks, coatings, adhesives), and an emollient and can also be utilised as a paint removerand plasticiser. |
| Chemical Properties | Dimethyl adipate is a colorless liquid. It is a fatty acid methyl ester. |
| Uses | Dimethyl 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. |
| Uses | Dimethyl 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. |
| Definition | ChEBI: Dimethyl adipate is a fatty acid methyl ester. |
| Production Methods | Dimethyl adipate is manufactured via esterification of adipicacid and methanol in the presence of an acid catalyst. |
| General Description | Colorless liquid. |
| Air & Water Reactions | Flammable. Hydrolyzed by strong mineral acids and strong alkalis. |
| Reactivity Profile | Dimethyl 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 Hazard | May be harmful by inhalation, ingestion, or skin absorption. May cause irritation. |
| Health Hazard | Exposures to dimethyl adipate cause toxicity and adverse health effects in laboratoryanimals and humans. Workplace exposures to dimethyl adipate by inhalation, ingestion,or skin absorption cause harmful and irritation effects to users. |
| Flammability and Explosibility | Non flammable |
| Safety Profile | Moderately toxic by intraperitoneal route. Experimental teratogenic and reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. |
| Synthesis | Dimethyl adipate was synthesized by immobilized Candida antarctica lipase B-catalyzed esterification of adipic acid and methanol. 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/ |
| Carcinogenicity | In a chronic inhalation toxicitystudy of dimethyl adipate, groups of male and female ratswere exposed to 400 mg/m3 of dimethyl adipate over a90-day period. Focal respiratory metaplasia of the olfactoryepithelium was found. These nonneoplastic lesions wereminimal to mild in severity . |
| Toxics Screening Level | The ITSL for Dimethyl Adipate is 1 μg/m3 based on annual averaging time. |
| Precautions | During handling of dimethyl adipate, occupational workers should be careful and useself-contained breathing apparatus, rubber boots, and heavy rubber gloves and avoid prolongedperiod of exposures. Workers should avoid contact of dimethyl adipate with skin,eyes and nose. |
Dimethyl adipate Preparation Products And Raw materials
| Raw materials | Adipic acid-->Monomethyl adipate-->dimethyl ethylsuccinate-->(1E,3E)-1,3-Butadiene-1,4-dicarboxylic acid dimethyl ester-->ADIPIC SEMIALDEHYDE METHYL ESTER-->D-Glucaric acid-->D-Glucaric acid 1,4:6,3-dilactone-->2-Methylpentanedioic acid dimethyl ester-->HOMOCITRIC ACID-GAMMA-LACTONE-->Dimethyl Glutarate-->6-oxohexanoic acid-->Dimethyl sebacate-->DIMETHYL PENTADECANEDIOATE-->DIMETHYL UNDECANEDIOATE |
| Preparation Products | 3-Ethyl-2-hydroxy-2-cyclopenten-1-one-->6-HYDROXYCAPROIC ACID |
