Grundinformationen
- Standard-SMILES
COC(=O)CCCCC(=O)OC- InChIKey
UDSFAEKRVUSQDD-UHFFFAOYSA-N- Summenformel
- C8H14O4
- Durchschnittliche Molmasse
- 174,19 g/mol
- Monoisotopische Masse
- 174,08920892
Namen und Bezeichner
- Bevorzugter Name
- Dimethyladipate
- IUPAC
- dimethyl hexanedioate
- Lokaler Name
- Dimethyladipat
- Englischer Name
- Dimethyl adipate
- Summenformel
- C8H14O4
- Molmasse
- 174.19
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
627-93-0- PubChem CID
- 12329
- DTXSID
DTXSID8025096- ChEMBL
CHEMBL1566491- ChEBI
CHEBI:34715- UNII
- BY71RX0R62
- EC Number
- 211-020-6
- Nikkaji
- J518E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 52,6 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 135
Physikochemische Eigenschaften
- Schmelzpunkt
- 8 °C · 8 °C (lit.)
- Siedepunkt
- 109 · 109-110 °C/14 mmHg (lit.)
- Dichte
- 1.062 g/mL · 1.062 g/mL at 20 °C (lit.)
- Dampfdruck
- 0.2 mm · 0.2 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.428(lit.)
- FEMA
- 4472 · 4472 | DIMETHYL ADIPATE
- Flammpunkt
- 225 °F · 225 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 1 g/l · <1g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear
- Geruch (Odor)
- 100 % · at 100.00 %. mild nutty
- Geruchsart
- nutty
- Explosionsgrenze
- 0.81 · 0.81-8.1%(V)
- Wasserlöslichkeit
- 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)
- Stabilität
- Stable. Combustible. Incompatible with strong oxidizing agents, acids, bases reducing agents.
- Kosmetik-Inhaltsstoffe Funktionen
- SOLVENTPLASTICISERSKIN CONDITIONING - EMOLLIENT
- 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℃
- CAS Datenbank
- 627 · 627-93-0(CAS DataBase Reference)
- NIST chemische Informationen
- Hexanedioic acid, dimethyl ester(627-93-0)
- EPA chemische Informationen
- Dimethyl adipate (627-93-0)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29171290
- RTECS-Nr.
- AV1645000
- Toxizität
- LD50 orally in Rabbit: 8191 mg/kg LD50 dermal Rabbit > 2250 mg/kg
- safety_code
- 24/25
- Speicherklasse
- 10 - Combustible liquids
- Giftige Stoffe Daten
- 627-93-0(Hazardous Substances Data)
- Selbstentzündungstemperatur
- 680 °F
Chemie und Industrie
Anwendungen
BeschreibungDimethyl 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.
VerwendenDimethyl 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.
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