Antioxidant 245

HCID 91620
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
36443-68-2
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
Molecular formula
C34H50O8
Average molar mass
586.8 g/mol
Monoisotopic mass
586.35056856

Names & identifiers

Preferred 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
English name
Antioxidant 245
Molecular formula
C34H50O8
Molecular weight
586.77

Names & synonyms

Antioxidant 24536443-68-2TK 12627R24A2HOY7JTK-12627Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) esterRefChem:899522Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionateIrganox 245DTXSID0044236(ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(3-(3-(tert-butyl)-4-hydroxy-5-methylphenyl)propanoate)Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,2-ethanediylbis(oxy-2,1-ethanediyl) ester
Show more names
XH-245AO-245AN245tk12627AN245DWPrimanox245Igranox-245
MFCD00134694Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-,1,2-ethanediylbis(oxy-2,1-ethanediyl) esterEthylenebis(oxyethylene) bis(3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate)Ethylenebis(oxyethylene) bis[3-(5-tert-butyl-4-hydroxy-m-tolyl)propionate]Antioxidant245triethylene glycol bis-(3-(3'-tert-butyl-4'-hydroxy-5'-methylphenyl)propionate)Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-5-methyl-, 1,1'-(1,2-ethanediylbis(oxy-2,1-ethanediyl)) esterIrganox-245

Database identifiers

CAS
36443-68-2
PubChem CID
91620
DTXSID
DTXSID0044236
ChEMBL
CHEMBL3187604
UNII
R24A2HOY7J
EC Number
253-039-2
Nikkaji
J40.647C

Properties

Computed structural properties

XLogP
6.9
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
19
Heavy atoms
42

Experimental & physicochemical properties

Polymers · 2 items

Plastics -> Antioxidants

Plastics -> PUR; PVC (soft); ABS; PVC (rigid); PMMA; PA; (E)PS

Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances · 2 items

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical DescriptionDry Powder; Large Crystals; Other Solid; Large Crystals
Collision Cross Section236.4 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0044236]

Physicochemical properties

Melting point
79 · 79-81oC
Boiling point
602.88 °C · 602.88°C (rough estimate)
Density
1.0397 · 1.0397 (rough estimate)
refractive index
1.6 · 1.6000 (estimate)
Flash point
150 °C · >150 °C
storage temp.
Sealed in dry,Room Temperature

Safety & regulation

GHS classification

GHS Classification · 5 items

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.

Hazard information

Regulatory Information · 5 items

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

Hazard Classes and CategoriesAquatic Chronic 1 (42.5%)

Safety data

tsca
TSCA listed
risk_code
52/53
Signal word
Warning
Symbol(GHS)
GHS09
safety_code
61
Hazard statements
H410-H413

Chemistry & industry

Uses & manufacturing

UsesPlastics -> Typical concentration range in plastic materials -> 0.005 - 3.0%
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesAntioxidant
Industry UsesOther
Use Classification · 2 items

Plastics -> Antioxidants

Plastics -> Polymer Type -> PUR; PVC (soft); ABS; PVC (rigid); PMMA; PA; (E)PS

General Manufacturing Information · 2 items

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

Applications · 2 items

UsesAntioxidant 245 is an ethylenebis (oxyethylene) bis-(3-(5-tert-butyl-4-hydroxy-m-tolyl)-propionate). It is an antioxidant for processing and long-term thermal stabilization. It has low volatility, good color stability and is odorless. Exhibits high extraction resistance. Antioxidant 245 protects the substrates against thermo-oxidative degradation during manufacturing, processing and end use. It is compatible with styrene polymers including polystyrenes, ABS, MBS, SB and SBR as well as POM homo-and copolymers. Also compatible with polyurethanes, polyamides, thermoplastic polyesters, PVC and other polymers. It is effective as chain stopper during PVC polymerization. Its recommended dosage level is 0.05-0.1% for long-term thermal stability. Concentrations up to 1.0% can be used depending on the substrate and the requirements of the end application.

UsesTriethylene 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.

Upstream & downstream products

Suppliers100 total

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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