Dimethyladipate

HCID 12329

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

DimethyladipateRefChem:134217Dimethyl adipate627-93-0Dimethyl hexanedioateAdipic acid dimethyl esterHEXANEDIOIC ACID, DIMETHYL ESTERAdipic acid, dimethyl ester1,6-DimethylhexanedioateMFCD000084691,6-dimethyl hexanedioateDBE 6
Show more names
dbe-6Adipic acid-diDimethyladipatAKOS BBS-00004546Flexisolv DBE-LVPDBE 6 DIBASIC ESTERAdipic acid dimethyl
hexanedioic acid dimethyl esterDTXSID8025096Adipic acid-dimethyl esteradipinic acid dimethyl esterDibasicestersBY71RX0R62NSC-11213Hexanedioic acid, 1,6-dimethyl ester

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

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

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

Chemistry & industry

Applications · 4 items

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.

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特(成都)生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Additional notes

DefinitionChEBI: Dimethyl adipate is a fatty acid methyl ester.

Related reactions

29 records

Compound notes

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