Grundinformationen
- Standard-SMILES
CCOC(=O)CC(CC(=O)OCC)(OC(C)=O)C(=O)OCC- InChIKey
WEAPVABOECTMGR-UHFFFAOYSA-N- Summenformel
- C14H22O8
- Durchschnittliche Molmasse
- 318,32 g/mol
- Monoisotopische Masse
- 318,13146766
Überblick
structure in first source
Namen und Bezeichner
- Bevorzugter Name
- Acetyl Triethyl Citrate
- IUPAC
- triethyl 2-acetyloxypropane-1,2,3-tricarboxylate
- Lokaler Name
- Triethyl-O-acetylcitrat
- Englischer Name
- Triethyl acetyl citrate
- Summenformel
- C14H22O8
- Molmasse
- 318.32
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
77-89-4- PubChem CID
- 6504
- DTXSID
DTXSID5044576- ChEMBL
CHEMBL2105928- UNII
- 5WBR36T90E
- EC Number
- 201-066-5
- Nikkaji
- J10.678J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 105 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 13
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 395
Experimentelle und physikochemische Eigenschaften
Cosmetics
Cosmetic ingredients (Acetyl Triethyl Citrate) -> CIR (Cosmetic Ingredient Review)
Plasticiser; Film forming
Collision Cross Section
175.4 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5044576]
174.36 Ų [M+Na]+
Physikochemische Eigenschaften
- Schmelzpunkt
- -42 °C · -42°C
- Siedepunkt
- 228 · 228-229 °C/100 mmHg (lit.)
- Dichte
- 1.136 g/mL · 1.136 g/mL at 25 °C (lit.)
- Pour Point
- -42 · -42
- Brechungsindex
- 20 · n20/D 1.439(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- Inert atmosphere,Room Temperature
- Löslichkeit
- 1 in · Soluble 1 in 140 of water; miscible with acetone, ethanol, and propan-2-ol.
- Aggregatzustand
- Liquid
- Farbe
- Colourless
- Geruch (Odor)
- odorless
- BRN
- 1804947 · 1804947
- Kosmetik-Inhaltsstoffe Funktionen
- FILM FORMINGFRAGRANCEPLASTICISERPERFUMING
- InChI
- 1S/C14H22O8/c1-5-19-11(16)8-14(22-10(4)15,13(18)21-7-3)9-12(17)20-6-2/h5-9H2,1-4H3
- InChIKey
- WEAPVABOECTMGR-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C(CC(OCC)=O)(CC(OCC)=O)OC(C)=O
- LogP
- 2.17 · 2.170 (est)
- CAS Datenbank
- 77 · 77-89-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1,2,3-Propanetricarboxylic acid, 2-acetoxy-, triethyl ester(77-89-4)
- EPA chemische Informationen
- 1 · 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester (77-89-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 12.9% (207 of 1604) of reports.
Warning
H317 (83.3%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1604 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester 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)
REACH registered substance: Triethyl O-acetylcitrate (EC: 201-066-5)
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
21 [mg/m3]
230 [mg/m3]
1400 [mg/m3]
Toxikologische Informationen
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 2918150000
- RTECS-Nr.
- GE8225000
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Fragrance Ingredients
Cosmetics -> Plasticiser; Film forming
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, 1,2,3-triethyl ester: ACTIVE
Anwendungen
VerwendenATEC is produced by the reaction of citric acid triethyl ester with acetic acid anhydride. It is used as a solvent plasticizer for cellulose nitrate and cellulose acetate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter50 Anbieter
Ergänzende Hinweise
DefinitionAqueous-based pharmaceutical coat- ings.
Zugehörige Reaktionen
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Verknüpfte Notizen
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