Basic information
- CAS
627-93-0- Standard SMILES
COC(=O)CCCCC(=O)OC- InChIKey
UDSFAEKRVUSQDD-UHFFFAOYSA-N- Molecular formula
- C8H14O4
- Average molar mass
- 174.19 g/mol
- Monoisotopic mass
- 174.08920892
Names & identifiers
- Preferred name
- Dimethyladipate
- IUPAC
- dimethyl hexanedioate
- English name
- Dimethyl adipate
- Molecular formula
- C8H14O4
- Molecular weight
- 174.19
Names & synonyms
Show more names
Database identifiers
- CAS
627-93-0- PubChem CID
- 12329
- DTXSID
DTXSID8025096- ChEMBL
CHEMBL1566491- ChEBI
CHEBI:34715- UNII
- BY71RX0R62
- EC Number
- 211-020-6
- Nikkaji
- J518E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 8 °C · 8 °C (lit.)
- Boiling point
- 109 · 109-110 °C/14 mmHg (lit.)
- Density
- 1.062 g/mL · 1.062 g/mL at 20 °C (lit.)
- vapor pressure
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- refractive index
- 20 · n20/D 1.428(lit.)
- FEMA
- 4472 · 4472 | DIMETHYL ADIPATE
- Flash point
- 225 °F · 225 °F
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- 1 g/l · <1g/l
- form
- Liquid
- color
- Clear
- Odor
- 100 % · at 100.00 %. mild nutty
- Odor Type
- nutty
- explosive limit
- 0.81 · 0.81-8.1%(V)
- Water Solubility
- Miscible with alcohols and ether. Immiscible with water.
- Merck
- 14 · 14,162
- JECFA Number
- 1964 · 1964
- BRN
- 1707443 · 1707443
- Henry's Law Constant
- 4.3 · 4.3×100 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents.
- Cosmetics Ingredients Functions
- SOLVENTPLASTICISERSKIN 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 · 1.4 at 22℃
- Substances Added to Food (formerly EAFUS)
- DIMETHYL ADIPATE
- CAS DataBase Reference
- 627 · 627-93-0(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 71 RX0R62 · BY71RX0R62
- NIST Chemistry Reference
- Hexanedioic acid, dimethyl ester(627-93-0)
- EPA Substance Registry System
- Dimethyl adipate (627-93-0)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P261
- PPE
- Eyeshields, Gloves
- Safety Statements
- 24 · 24/25
- WGK Germany
- 1 · 1
- RTECS
- 1645000 · AV1645000
- Autoignition Temperature
- 680 °F · 680 °F
- TSCA
- TSCA listed
- HS Code
- 29171290 · 29171290
- Storage Class
- 10 · 10 - Combustible liquids
- Hazardous Substances Data
- 627 · 627-93-0(Hazardous Substances Data)
- Toxicity
- 50 orally · LD50 orally in Rabbit: 8191 mg/kg LD50 dermal Rabbit > 2250 mg/kg
- REACH Registrations
- Active
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- AV1645000
- hs_code
- 29171290
- Toxicity
- LD50 orally in Rabbit: 8191 mg/kg LD50 dermal Rabbit > 2250 mg/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Autoignition Temperature
- 680 °F
- Precautionary statements
- P280-P261
- Hazardous Substances Data
- 627-93-0(Hazardous Substances Data)
Chemistry & industry
Applications
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.
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.
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.
General DescriptionColorless liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
Additional notes
DefinitionChEBI: Dimethyl adipate is a fatty acid methyl ester.
Related reactions
Compound notes
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