Grundinformationen
- Standard-SMILES
Cc1cc(CCC(=O)OCCOCCOCCOC(=O)CCc2cc(C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
QSRJVOOOWGXUDY-UHFFFAOYSA-N- Summenformel
- C34H50O8
- Durchschnittliche Molmasse
- 586,8 g/mol
- Monoisotopische Masse
- 586,35056856
Namen und Bezeichner
- Bevorzugter Name
- Antioxidant 245
- IUPAC
- 2-[2-[2-[3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoyloxy]ethoxy]ethoxy]ethyl 3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propanoate
- Lokaler Name
- Ethylenbis(oxyethylen)bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionat]
- Englischer Name
- Antioxidant 245
- Summenformel
- C34H50O8
- Molmasse
- 586.77
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
36443-68-2- PubChem CID
- 91620
- DTXSID
DTXSID0044236- ChEMBL
CHEMBL3187604- UNII
- R24A2HOY7J
- EC Number
- 253-039-2
- Nikkaji
- J40.647C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,9
- Polarare Oberfläche (TPSA)
- 112 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 19
- Schwere Atome
- 42
- Formalladung
- 0
- Komplexität
- 734
Experimentelle und physikochemische Eigenschaften
Polymers
Plastics -> Antioxidants
Plastics -> PUR; PVC (soft); ABS; PVC (rigid); PMMA; PA; (E)PS
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physikochemische Eigenschaften
- Schmelzpunkt
- 79 · 79-81oC
- Siedepunkt
- 602.88 °C · 602.88°C (rough estimate)
- Dichte
- 1.0397 · 1.0397 (rough estimate)
- Brechungsindex
- 1.6 · 1.6000 (estimate)
- Flammpunkt
- 150 °C · >150 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11.44 · 11.44±0.25(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 104 μg/L · 104μg/L at 23℃
- Kosmetik-Inhaltsstoffe Funktionen
- ANTIOXIDANT
- InChIKey
- QSRJVOOOWGXUDY-UHFFFAOYSA-N
- SMILES
- C(C1C=C(C)C(O)=C(C(C)(C)C)C=1)CC(=O)OCCOCCOCCOC(=O)CCC1C=C(C)C(O)=C(C(C)(C)C)C=1
- LogP
- 4.7 at · 4.7 at 23℃
- CAS Datenbank
- 36443 · 36443-68-2(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester (36443-68-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 22.7% (138 of 607) of reports.
Warning
H410 (42.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 607 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl)ester
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] 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)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 26-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13215
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- tsca
- TSCA listed
- risk_code
- 52/53
- safety_code
- 61
Chemie und Industrie
Verwendung und Herstellung
Use Classification
Plastics -> Antioxidants
Plastics -> Polymer Type -> PUR; PVC (soft); ABS; PVC (rigid); PMMA; PA; (E)PS
General Manufacturing Information
Paint and Coating Manufacturing
Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1'-[1,2-ethanediylbis(oxy-2,1-ethanediyl)] ester: ACTIVE
Anwendungen
VerwendenTriethylene Glycol Bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate is used as a polymer antioxidant stabilizer in adhesives and polymers for food contact. Generally functions as an antioxidant in the chemistry of plastics.
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