Diacetin
Grundinformationen
- CAS
101364-64-1- Standard-SMILES
CC(=O)OCC(CO)OC(C)=O- InChIKey
UXDDRFCJKNROTO-UHFFFAOYSA-N- Summenformel
- C7H12O5
- Durchschnittliche Molmasse
- 176,17 g/mol
- Monoisotopische Masse
- 176,06847348
Überblick
Glycerol 1,2-diacetate is a 1,2-diglyceride.
Namen und Bezeichner
- Bevorzugter Name
- Diacetin
- IUPAC
- (2-acetyloxy-3-hydroxypropyl) acetate
- Englischer Name
- (2-acetyloxy-3-hydroxy-propyl) acetate
- Summenformel
- C7H12O5
- Molmasse
- 176.17
Namen und Synonyme
1,2,3-Propanetriol, diacetateGlycerol diacetateGlyceryl diacetateGlycerin diacetateAcetin, di-Glycerine diacetateEstol 1582Estol 1583EINECS 246-941-2CCRIS 9354AI3-00676GJ0544W99Q
Weitere Namen anzeigen
1,2-DiacetinAcetin, 1,2-di-1,2-DiacetylglycerolGlyceryl 1,2-diacetate2,3-Diacetoxypropan-1-olEthyl Acetate Impurity 17(Hydroxymethyl)ethylene acetate1,2,3-Propanetriol 1,2-diacetate3-hydroxy-1,2-propanediyl diacetate(2-acetyloxy-3-hydroxy-propyl) acetate
DIACETIN [INCI]DIACETIN [MI]RefChem:5861371,2,3 propanetriol diacetatepropane-1,2,3-triol diacetateCHEBI:88156DIACETIN102-62-5
Datenbank-Bezeichner
- CAS
101364-64-1、102-62-5、25395-31-7- PubChem CID
- 66021
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,3
- Polarare Oberfläche (TPSA)
- 72,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 165
Experimentelle und physikochemische Eigenschaften
CosmeticsSolvent
FragrancesFragrance Ingredient (1,2,3-Propanetriol, diacetate) -> IFRA transparency List
SolubilitySoluble in water. Miscible with ethanol
Physical DescriptionClear, colourless, hygroscopic, somewhat oily liquid with a slight, fatty odour
Physikochemische Eigenschaften
- Schmelzpunkt
- 40 °C · 40°C
- Siedepunkt
- 280 °C · 280°C (estimate)
- Dichte
- 1.178 · 1.1780
- Brechungsindex
- 1.435 · 1.4350 (estimate)
- Löslichkeit
- Chloroform (Slightly), DMSO (Sparingly), Ethyl Acetate (Slightly)
- Aggregatzustand
- Oil
- pka
- 13.97 · 13.97±0.10(Predicted)
- Farbe
- Colourless
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.4% (176 of 177) of all reports.
Not Classified
Aggregated GHS information provided per 177 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,2,3-Propanetriol, diacetate
1,2,3-Propanetriol, diacetate is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetriol, diacetate are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
1,2,3-Propanetriol, diacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsCytoplasm
Metabolite PathwaysInositol phosphate metabolism
Verwendung und Herstellung
U.S. Production2022: 2,116 lb
Use Classification
Food additives
Fragrance Ingredients
Food Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
Food Additives -> CARRIER_SOLVENT -> JECFA Functional Classes
Cosmetics -> Solvent
General Manufacturing Information1,2,3-Propanetriol, diacetate: ACTIVE
Anwendungen
Verwenden1,2-Diacetin is a derivative of Triacetin (T720850) which is used as a food additive and flavorings. Triacetin can be used as an excipient in pharmaceutical products where it is used as a humectant, a plasticizer, and as a solvent. Triacetin can also be used as a fuel additive as an antiknock agent.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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