Antioxidant 1010

HCID 64819
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Substructure searchFind similar structures

Basic information

CAS
6683-19-8
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
Molecular formula
C73H108O12
Average molar mass
1,177.6 g/mol
Monoisotopic mass
1,176.7840789

Overview

has antioxidant activity

Names & identifiers

Preferred 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
English name
Antioxidant 1010
Molecular formula
C73H108O12
Molecular weight
1177.66

Names & synonyms

6683-19-8Irganox 1010Pentaerythritol tetrakis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)Antioxidant 1010Tetraalkofen BPEPhenosane 23Dovernox 10Fenozan 22Fenozan 23Naugard 10Sumilizer BP 101Irganox 1010FF
Show more names
PENTAERYTHRITYL TETRA-DI-t-BUTYL HYDROXYHYDROCINNAMATEPentaerythritol TetrakisBHPMao60Antioxidant1010PENTAERYTHRITOL TETRAKIS(3,5-DI-TERT-BUTYL-4-HYDROXYHYDROCINNAMATE)Carbyltetramethylene tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)TTHP
Irganox 1040Anox 20AMRalox 630ANOX 20ADK Stab AO 60Irganox 1010FPMARK AO 60DTXSID1027633

Database identifiers

CAS
6683-19-8
PubChem CID
64819
DTXSID
DTXSID1027633
ChEMBL
CHEMBL3187856
UNII
255PIF62MS
EC Number
229-722-6、687-966-2
Nikkaji
J46.615H

Properties

Computed structural properties

XLogP
19.4
Topological polar surface area
186 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
12
Rotatable bonds
32
Heavy atoms
85

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Other Organic Compounds
Polymers · 2 items

Plastics -> Polyolefin-I; PUR; Polyolefin-II; PVC (soft); PVC (rigid); PET; PA; PC; (E)PS

Plastics -> Antioxidants

CosmeticsCosmetic ingredients (Pentaerythrityl Tetra-di-t-butyl Hydroxyhydrocinnamate) -> CIR (Cosmetic Ingredient Review)
FragrancesFragrance Ingredient (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) -> IFRA transparency List
LogP23
Density1.15 g/cm³

Physicochemical properties

Melting point
115 · 115-118 °C (dec.)(lit.)
Boiling point
779.1 °C · 779.1°C (rough estimate)
Density
0.9594 · 0.9594 (rough estimate)
refractive index
1.639 · 1.6390 (estimate)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Ethyl Acetate (Slightly)

Safety & regulation

GHS classification

GHS Classification · 6 items

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)

Hazard information

Regulatory Information · 4 items

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

Other Safety InformationIMAP assessments - 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: Human health tier I assessment
Fire HazardsCombustible. Finely dispersed particles form explosive mixtures in air.
Hazards Summary · 1 item

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]

EPA Safer ChemicalChemical: Pentaerythritol, tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)
Chemical DangersReacts with strong oxidants, strong acids and strong bases.

Safety & protection

Fire FightingUse water spray, foam, powder, carbon dioxide.
First Aid Measures · 4 items

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.

Safe StorageSeparated from strong oxidants, strong bases and strong acids.
Spillage DisposalRemove all ignition sources. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting.
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Prevent deposition of dust. Closed system, dust explosion-proof electrical equipment and lighting.

Toxicology

Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Signs and Symptoms · 2 items

Cough.

Redness.

Toxicity DataLC50 (rat) > 1,950 mg/m3/4hr

Safety data

wgk
-
tsca
TSCA listed
rtecs
DA8340900
hs_code
29182900
Toxicity
LD50 unreported in mammal (species unspecified): 10gm/kg
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Uses · 4 items

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%

U.S. Production2023: 40,000,000 - <55,000,000 lb
Consumer UsesAnti-static agent
Industry UsesOxidizing agent
Household ProductsInformation on 33 consumer products that contain Pentaerythrityl Tetra-Di-T-Butyl Hydroxyhydrocinnamate in the following categories is provided:
Use Classification · 5 items

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

Applications · 2 items

UsesPentaerythritol 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.

General DescriptionPentaerythritol tetrakis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate) (PT) is a sterically hindered phenolic antioxidant and a heat stabilizer mainly used to enhance the oxidative resistance and protection against the toxicity of solvents. It has a glass transition temperature of 50℃ and can be annealed at room temperature.PT can be used as an additive to protect biaxially-oriented propylene (BOPP) capacitor film from thermal oxidation on UV exposure. It can also be used as a standard material to study the gas-cluster ion sputtering (GCIS) using X-ray photoelectron microscopy (XPS) and Atomic force microscopy (AFM).

Upstream & downstream products

Downstream products

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海创欣化学有限公司021-54253545

Related reactions

8 records
New reaction record

Compound notes

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