Basic information
- CAS
41484-35-9- Standard SMILES
CC(C)(C)c1cc(CCC(=O)OCCSCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O- InChIKey
VFBJXXJYHWLXRM-UHFFFAOYSA-N- Molecular formula
- C38H58O6S
- Average molar mass
- 642.9 g/mol
- Monoisotopic mass
- 642.39541074
Names & identifiers
- Preferred name
- 3,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl ester
- IUPAC
- 2-[2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethylsulfanyl]ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
- English name
- Antioxidant 1035
- Molecular formula
- C38H58O6S
- Molecular weight
- 642.94
Names & synonyms
Irganox 103541484-35-93,5-Bis(1,1-dimethylethyl)-4-hydroxybenzenepropanoic acid thiodi-2,1-ethanediyl esterDTXSID7028011Thiodiethylene bis(3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate)6F5OZW34JZNaugard EL 50Irganox 1035FFThioethylene glycol bis(3,5-di-tert-butyl-4-hydroxyhydrocinnamate)Irganox L 1035Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) esterBenzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester
Show more names
AN-1035AO-1035diylesterfenozan30Thanox1035Ianox 1035CHLUMIAO 1035ANTIOXIDANT 1035Antioxidants 1035
DTXCID508011thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate]4Hydroxy3,5ditertbutylphenylpropionic acid thioglycolateThiodi2,1ethanediyl bis(3,5ditertbutyl4hydroxyhydrocinnamate)Thiodiethyleneglycolbis(3,5ditertbutyl4hydroxyhydrocinnamate)Bis(2(3(3,5ditertbutyl4hydroxyphenyl)propionyloxy)ethyl)sulfideRefChem:486515Thiodiethylene bis(3(3,5ditertbutyl4hydroxyphenyl)propionate)
Properties
Computed structural properties
- XLogP
- 10.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 798
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
Endocrine DisruptorsPotential endocrine disrupting compound
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physical Description
Liquid; Dry Powder; Other Solid
White to off-white solid; [EPA ChAMP: Hazard Characterization] White to off-white powder, granules, or pellets; Odorless; [Great Lakes Chemical MSDS]
Physicochemical properties
- Melting point
- 78 °C · 78 °C
- Boiling point
- 659.4 · 659.4±55.0 °C(Predicted)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 27.4% (278 of 1013) of reports.
H412 (48.3%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1013 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) 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'-(thiodi-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)
REACH registered substance: Thiodiethylene bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate] (EC: 255-392-8)
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, thiodi-2,1-ethanediyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
An oral repeated-dose study of rats produced: 1.) significantly increased relative liver weights at 39 mg/kg/day (with minimal liver hypertrophy); 2.) no adverse effects to male or female reproductive organs; and 3.) a NOAEL of 12.5 mg/kg/day for systemic toxicity; [EPA ChAMP: Hazard Characterization] Causes changes in liver, kidney, and testicular weights in repeated-dose oral studies of rats; [RTECS] Dust may cause mechanical irritation; [Great Lakes Chemical MSDS]
Chemistry & industry
Uses & manufacturing
Uses
Used as a stabilizer for polyolefins, elastomers, and other polymers and in synthetic engine oil lubricants; Also approved by the FDA for use in food contact polymers, resins, and adhesives; [EPA ChAMP: Hazard Characterization] Used as an antioxidant; [Great Lakes Chemical MSDS]
U.S. Production2023: 550,000 - <700,000 lb
Consumer UsesMonomers
Industry UsesLubricating agent
General Manufacturing Information
Plastics Product Manufacturing
Benzenepropanoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 1,1'-(thiodi-2,1-ethanediyl) ester: ACTIVE
Applications
DescriptionANTIOXIDANT 1035 is a sulfur containing primary antioxidant and heat stabilizer which is widely used for the process stabilization of polyethylene wire and cable resin applications. It eliminates the concern over micro-contaminants that can affect the insulation properties of the wire, and it also prevents premature gel formation of chemically cross-linked polyethylene during extrusion compounding. It also provides efficient processing stabilization and long-term thermal stability with excellent system compatibility and low color in styrenic polymers, polypropylene, polyurethanes, polyesters, segmented block copolymers, other rubber modified polymers, and elastomers (including EPDM, SBR, carboxylated SBR latex, and polybutadiene and polyisopropene rubber). It also provides excellent stabilization in petroleum-based products, including lubricants (such as turbine oils) petrolatum and higher poly alpha-olefins.
UsesAntioxidant 1035 is suitable for polyolefins, linear polyesters, PVC, polyamides, polyurethanes, elastomers, adhesives, most widely used for carbon black containing polymers such as PE and XLPE wire and cable resins, LDPE wire and cable, PVA, polypropylene, elastomer high impact polystyrene. It can be used with auxiliary antioxidant to exert synergistic effect, and the antioxidant performance is better.
Related reactions
1 records
Compound notes
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