Grundinformationen
- Standard-SMILES
CC(C)(C)c1cc(CCC(=O)OCC(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)COC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
BGYHLZZASRKEJE-UHFFFAOYSA-N- Summenformel
- C73H108O12
- Durchschnittliche Molmasse
- 1.177,6 g/mol
- Monoisotopische Masse
- 1.176,7840789
Überblick
has antioxidant activity
Namen und Bezeichner
- Bevorzugter Name
- Antioxidant 1010
- IUPAC
- [3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]-2,2-bis[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxymethyl]propyl] 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- Lokaler Name
- Pentaerythrittetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionat)
- Englischer Name
- Antioxidant 1010
- Summenformel
- C73H108O12
- Molmasse
- 1177.66
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6683-19-8- PubChem CID
- 64819
- DTXSID
DTXSID1027633- ChEMBL
CHEMBL3187856- UNII
- 255PIF62MS
- EC Number
- 229-722-6、687-966-2
- Nikkaji
- J46.615H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 19,4
- Polarare Oberfläche (TPSA)
- 186 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 12
- Frei drehbare Bindungen
- 32
- Schwere Atome
- 85
- Formalladung
- 0
- Komplexität
- 1.730
Experimentelle und physikochemische Eigenschaften
Polymers
Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); PVC (rigid); PET; PA; PC; (E)PS
Plastics -> Antioxidants
Flash Point
297 °C o.c.
566.6 °F (open cup)
Melting Point
110-125 °C
230-257 °F
Physikochemische Eigenschaften
- Schmelzpunkt
- 115 · 115-118 °C (dec.)(lit.)
- Siedepunkt
- 779.1 °C · 779.1°C (rough estimate)
- Dichte
- 0.9594 · 0.9594 (rough estimate)
- Brechungsindex
- 1.639 · 1.6390 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- pka
- 11.71 · 11.71±0.40(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Kosmetik-Inhaltsstoffe Funktionen
- ANTIOXIDANT
- InChIKey
- BGYHLZZASRKEJE-UHFFFAOYSA-N
- LogP
- 18.832 · 18.832 (est)
- CAS Datenbank
- 6683 · 6683-19-8(CAS DataBase Reference)
- EPA chemische Informationen
- 3 · Pentaerithritol tetrakis[3,5-di-tert-butyl-4-hydroxyhydrocinnamate] (6683-19-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 91.6% (2698 of 2945) of all reports.
Not Classified
Aggregated GHS information provided per 2945 reports by companies from 12 notifications to the ECHA C&L Inventory.
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P280, P301+P317, P302+P352, P321, P330, P332+P317, P362+P364, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] 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)
Status: Active Update: 26-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15308
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
May cause mechanical eye and respiratory tract irritation; [ICSC] Not a skin or eye irritant in rabbits; Not a skin sensitizer in guinea pigs; No adverse effects to fertility, reproduction, or development observed in 2-generation oral study of rats (doses up to 10,000ppm in feed); No teratogenic effects observed in mice (doses up to 1,000 mg/kg/day); [IUCLID] May cause mechanical irritation; [Addivant MSDS]
Hazard Classes and Categories
Not Classified
Acute Tox. 4 (100%)
Sicherheit und Schutzausrüstung
First Aid Measures
Fresh air, rest.
Rinse and then wash skin with water and soap.
Rinse with plenty of water (remove contact lenses if easily possible).
Rinse mouth.
Toxikologische Informationen
Signs and Symptoms
Cough.
Redness.
Sicherheitsdaten
- wgk
- -
- tsca
- TSCA listed
- hs_code
- 29182900
- RTECS-Nr.
- DA8340900
- Toxizität
- LD50 unreported in mammal (species unspecified): 10gm/kg
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
Uses
CIR ingredient: Pentaerythrityl Tetra-di-t-butyl Hydroxyhydrocinnamate
Used in the polymers industry as a stabilizer and antioxidant; [IUCLID] Used as a stabilizer for various polymers, as a radical scavenger in polyolefins, to make construction foam, Raffia film (PP film) and fibers, adhesives and sealants, thermoplastics, plastic and rubber products, wire and cable, wood plastic composites, and textiles-leather-fur; [ExPub: ECHA REACH Registrations] Permitted for use as an inert ingredient in non-food pesticide products; [EPA] Used as an antioxidant; [Addivant MSDS]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
Plastics -> Typical concentration range in plastic materials -> 0.002 - 0.5%
Use Classification
EPA Safer Chemical Functional Use Classes -> Preservatives and Antioxidants
Safer Chemical Classes -> Green circle - The chemical has been verified to be of low concern
Fragrance Ingredients
Plastics -> Polymer Type -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); PVC (rigid); PET; PA; PC; (E)PS
Plastics -> Antioxidants
General Manufacturing Information
Transportation Equipment Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-[2,2-bis[[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methyl]-1,3-propanediyl] ester: ACTIVE
Anwendungen
VerwendenPentaerythritol Tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate) is an antioxidant used in food packaging to prevent the spoilage and increase the shelf life of food products. It can be found mainly in food packages made of LDPE, HDPE, PP, PVC and PET.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter50 Anbieter
Zugehörige Reaktionen
Verknüpfte Notizen
Wird geladen…