2-Methyl-4,6-bis[(octylthio)methyl]phenol
Basic information
- CAS
110553-27-0- Standard SMILES
CCCCCCCCSCc1cc(C)c(O)c(CSCCCCCCCC)c1- InChIKey
GAODDBNJCKQQDY-UHFFFAOYSA-N- Molecular formula
- C25H44OS2
- Average molar mass
- 424.8 g/mol
- Monoisotopic mass
- 424.28335837
Names & identifiers
- Preferred name
- 2-Methyl-4,6-bis[(octylthio)methyl]phenol
- IUPAC
- 2-methyl-4,6-bis(octylsulfanylmethyl)phenol
- English name
- Antioxidant 1520
- Molecular formula
- C25H44OS2
- Molecular weight
- 424.75
Names & synonyms
110553-27-02-methyl-4,6-bis((octylthio)methyl)phenol4,6-Bis(octylthiomethyl)-o-cresolIrganox 15202-methyl-4,6-bis[(octylthio)methyl]phenolPhenol, 2-methyl-4,6-bis[(octylthio)methyl]-DTXSID60441992,4-bis(octylthiomethyl)-6-methylphenolUNII-C73V7OV6Q32,4-dioctylthiomethyl-6-methylphenolPhenol, 2-methyl-4,6-bis((octylthio)methyl)-C73V7OV6Q3
Show more names
4,6-bis (octylthiomethyl)-o-cresolAt 1520AO-1520C25H44OS2Runnox 1520CHLUMIAO 1520
DTXCID4024199402-860-6RefChem:881112-methyl-4,6-bis(octylsulfanylmethyl)phenolAntioxidant TH1520ANTIOXIDANT 15202-Methyl-4,6-bis[(n-octylthio)methyl]phenolMFCD00134699
Database identifiers
- CAS
110553-27-0- PubChem CID
- 113646
- DTXSID
DTXSID6044199- ChEMBL
CHEMBL3560804- UNII
- C73V7OV6Q3
- EC Number
- 402-860-6、639-900-9
- Nikkaji
- J268.486A
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 337
Experimental & physicochemical properties
Polymers
Plastics -> Antioxidants
Plastics -> Polyolefin-I; Polyolefin-II; (E)PS
Food Contact Substances
FCS -> FDA Cumulative Estimated Daily Intake (CEDI)
FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
FCS -> FDA Inventory of Effective Food Contact Substance (FCS) Notifications
Physical DescriptionOther Solid; Dry Powder; Liquid
Collision Cross Section208.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6044199]
Physicochemical properties
- Boiling point
- 532.2 · 532.2±45.0 °C(Predicted)
- Density
- 0.99 · 0.990±0.06 g/cm3(Predicted)
- vapor pressure
- 1 Pa · 1Pa at 25℃
- storage temp.
- Refrigerator
- solubility
- Chloroform (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 98.4% (189 of 192) of all reports.
Not Classified
Aggregated GHS information provided per 192 reports by companies from 5 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 96.2% (101 of 105) of all reports.
Not Classified
Aggregated GHS information provided per 105 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Phenol, 2-methyl-4,6-bis((octylthio)methyl)-
Phenol, 2-methyl-4,6-bis[(octylthio)methyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Phenol, 2-methyl-4,6-bis[(octylthio)methyl]- 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.
REACH registered substance: 4,6-bis(octylthiomethyl)-o-cresol (EC: 402-860-6)
Phenol, 2-methyl-4,6-bis(octylthio)methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Not Classified
Not Classified
Safety data
- tsca
- TSCA listed
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
Chemistry & industry
Uses & manufacturing
UsesPlastics -> Typical concentration range in plastic materials -> 0.015 - 0.2%
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesOther
Industry UsesStabilizing agent
Use Classification
Plastics -> Antioxidants
Plastics -> Polymer Type -> Polyolefin-I; Polyolefin-II; (E)PS
General Manufacturing Information
Rubber Product Manufacturing
Phenol, 2-methyl-4,6-bis[(octylthio)methyl]-: ACTIVE
Applications
UsesAntioxidant 1520 is a multifunctional liquid phenolic antioxidant with highly effective stabilization for organic materials such as elastomers, plastics, adhesives sealants, oils and lubricants. It protects these materials against thermo-oxidative degradation. It can be applied for emulsion and solution polymerized elastomers such as BR, SBR, NBR, SBS, and others. Antioxidant 1520 is effective both as a raw elastomer and compound stabilizer. It also effectively protects various adhesive, sealant, and latex applications. It is non-discoloring, non-staining, low in volatility, and stable to light and heat. It is not recommended for odor sensitive hot melt adhesives or their raw materials. Antioxidant 1520 can be used alone at low levels without co-stabilizers to provide both processing and long-terms heat aging stability. If needed, it also can be used with other additives such as secondary antioxidants, benzofuranone, light stabilizers, and other functional stabilizers. The effectiveness of this product used in a wide range of elastomers is exceptional along with extensive food contact approvals.
Description2-Methyl-4,6-bis(octylsulfanylmethyl)phenol (BIOP) is a phenolic antioxidant.1 Formulations containing BIOP have been used as stabilizing additives in rubber and styrene synthetic elastomers.WARNING This product is not for human or veterinary use.
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Compound notes
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