Triethyl-O-acetylcitrat
Acetyl Triethyl Citrate
Grundinformationen
- CAS
77-89-4- 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
77-89-4Acetyl triethyl citrateAcetyltriethyl citrate1,2,3-Propanetricarboxylic acid, 2-(acetyloxy)-, triethyl esterNSC-38875WBR36T90E2-(Acetyloxy)-1,2,3-propanetricarboxylic acid, triethyl esterRefChem:552517201-066-5Triethyl 2-acetoxypropane-1,2,3-tricarboxylateTriethyl O-acetylcitrateATEC
Weitere Namen anzeigen
O-AcetyLUniplex 82Triethyl Ocitroflexa2
Citroflex A 2Triethyl 2-acetylcitrateTriethyl acetylcitrateO-Acetylcitric acid triethyl esterCitric acid, acetyl triethyl esterCITRIC ACID, TRIETHYL ESTER, ACETATENSC 3887Acetyltriethyl citrate [NF]
Datenbank-Bezeichner
- CAS
77-89-4- PubChem CID
- 6504
- DTXSID
DTXSID5044576- ChEMBL
CHEMBL2105928- UNII
- 5WBR36T90E
- EC Number
- 201-066-5
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
FragrancesFragrance Ingredient (Acetyl triethyl citrate) -> IFRA transparency List
PlasticizersPlasticizers
Density1.135 @ 20°C
Boiling Point137 °C @760 [mm Hg]
Melting Point-40 °C
Vapor Pressure0.01 [mm Hg] @20 °C
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical DescriptionLiquid
Collision Cross Section
175.4 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5044576]
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 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.
Hazard Classes and CategoriesSkin Sens. 1 (83.3%)
Sicherheit und Schutzausrüstung
Protective Action Criteria (PAC)
21 [mg/m3]
230 [mg/m3]
1400 [mg/m3]
Toxikologische Informationen
Chemie und Industrie
Verwendung und Herstellung
UsesCIR ingredient: Acetyl Triethyl Citrate
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesPlasticizer
Household ProductsInformation on 1 consumer products that contain Acetyl Triethyl Citrate in the following categories is provided:
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
Ergänzende Hinweise
DefinitionAqueous-based pharmaceutical coat- ings.
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