4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol
C43H58O3
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Identification
- CAS Number
- 111850-25-0
- EC Number
- 407-460-5
- UN Number
- 3077
- Index Number
- 604-065-00-1
- PubChem CID
- 14228559
Physical-chemical properties
- Molecular Formula
- C43H58O3
- Molar Mass
- 622.90 g/mol
- IUPAC Name
- 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol
Chemical Identifiers
- InChI
- InChI=1S/C43H58O3/c1-27(34-24-37(41(44)21-28(34)2)31-14-8-5-9-15-31)20-40(35-25-38(42(45)22-29(35)3)32-16-10-6-11-17-32)36-26-39(43(46)23-30(36)4)33-18-12-7-13-19-33/h21-27,31-33,40,44-46H,5-20H2,1-4H3
- InChI Key
- PRMDDINQJXOMDC-UHFFFAOYSA-N
Overview
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol (CAS 111850-25-0) is a complex phenolic antioxidant compound with exceptional thermal stability and oxidative protection properties. This sophisticated organic molecule represents a highly specialized phenolic antioxidant designed for demanding industrial applications requiring superior thermal and oxidative stability. With its molecular formula C43H58O3 and molecular weight of 622.9 g/mol, this compound features multiple cyclohexyl substituents and hydroxyphenyl groups that contribute to its exceptional performance characteristics. The EC number 407-460-5 identifies this substance within European chemical regulations. The compound's complex structure, featuring three phenolic units connected through a central butane chain, provides multiple sites for radical scavenging activity, making it particularly effective in high-temperature processing environments. Its substantial molecular weight and bulky substituents contribute to low volatility and excellent retention during thermal processing. From a safety perspective, this material is classified under GHS pictogram GHS09 with Aquatic Chronic 2 hazard classification, indicating potential long-term effects on aquatic environments. Transport falls under ADR Class 9 (miscellaneous dangerous substances), requiring appropriate handling and shipping protocols. Primary industrial applications include high-performance polymer stabilization, particularly in engineering plastics and elastomers exposed to elevated temperatures. The compound finds extensive use in automotive components, electronic materials, and industrial coatings where long-term thermal stability is critical. Unlike simpler antioxidants such as 4-[9-(4-amino-3-chlorophenyl)fluoren-9-yl]-2-chloroaniline, this phenolic compound offers superior performance in oxidatively challenging environments. OYSI maintains reliable supply chains for this specialized antioxidant, supporting European manufacturers requiring consistent access to high-quality thermal stabilization solutions.
Safety & Classification
Aquatic Chronic 2
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
Toxic to aquatic life with long lasting effects.
Classification according to CLP Regulation (EC) No 1272/2008. The complete list of hazard and precautionary statements can be found in the Safety Data Sheet (SDS).
First Aid Measures
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 4,4',4''-(1-Methylpropan-1-yl-3-yliden)tris(2-cyclohexyl-5-methylphenol) |
| Marine Pollutant | No |
Frequently Asked Questions
What is 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is a complex organic compound with CAS number 111850-25-0 and molecular formula C43H58O3. This substance has a molecular weight of 622.9 g/mol and features multiple cyclohexyl and phenolic groups in its structure. It is classified as having chronic aquatic toxicity (Aquatic Chronic 2) and requires the GHS09 environmental hazard pictogram for proper labeling and identification.
What are the physicochemical properties of 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is a large organic molecule with molecular formula C43H58O3 and molecular weight 622.9 g/mol. Due to its complex structure containing multiple cyclohexyl rings and phenolic hydroxyl groups, it likely exhibits low water solubility and moderate to high melting point. The presence of hydroxyl groups suggests potential for hydrogen bonding, while the extensive hydrocarbon framework indicates lipophilic characteristics.
What is 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol used for?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is typically used as a specialized chemical intermediate or additive in industrial applications. Given its complex phenolic structure with multiple cyclohexyl groups, it may function as an antioxidant, stabilizer, or performance enhancer in polymer systems, coatings, or specialty chemical formulations. Its specific molecular architecture suggests applications requiring thermal stability and oxidation resistance in demanding industrial processes.
How to handle 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol safely?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol requires standard chemical handling precautions with particular attention to environmental protection due to its Aquatic Chronic 2 classification. Wear appropriate personal protective equipment including chemical-resistant gloves, safety glasses, and protective clothing. Ensure adequate ventilation in work areas and avoid release to the environment. Handle in controlled industrial settings with proper containment measures to prevent environmental contamination.
How to store 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol correctly?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol should be stored in a cool, dry, well-ventilated area away from direct sunlight and heat sources. Use original containers or chemically compatible storage vessels with proper secondary containment to prevent environmental release. Given its Aquatic Chronic 2 classification, ensure storage areas have appropriate spill containment measures. Keep containers tightly closed when not in use and separate from incompatible materials as specified in the safety data sheet.
What to do in case of contact with 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol?
In case of contact with 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol, immediately remove contaminated clothing and flush affected skin or eyes with plenty of water for at least 15 minutes. If inhaled, move to fresh air immediately. Seek medical attention if irritation persists or if large amounts were involved. Prevent environmental contamination by containing any spilled material. Contact emergency services if significant exposure occurs or if environmental release threatens waterways.
How to dispose of 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol appropriately?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol must be disposed of as hazardous waste through licensed waste management companies due to its environmental hazard classification. Never discharge to sewers, waterways, or soil due to its Aquatic Chronic 2 status. Follow local and national regulations for hazardous waste disposal. Consider recycling or recovery options where available. Contaminated packaging should also be treated as hazardous waste unless thoroughly cleaned according to regulatory requirements.
How to transport 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is classified as ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation. This requires appropriate packaging, labeling with Class 9 hazard labels, and proper shipping documentation. Vehicles must carry appropriate emergency equipment and drivers need ADR training. Ensure packages are properly secured and protected from damage during transport. Follow ADR regulations for loading, segregation, and routing restrictions for Class 9 substances.
Is 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenyl subject to specific regulations?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is subject to REACH regulation for registration, evaluation, and authorization in the European Union, though it is not currently listed as a Substance of Very High Concern (SVHC). It must comply with CLP regulation for classification and labeling as Aquatic Chronic 2 with GHS09 pictogram. Additional environmental regulations may apply due to its aquatic toxicity classification, requiring careful handling and disposal procedures to protect water systems.
Where to buy 4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol in Europe?
4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is available through OYSI, a specialized European distributor of technical chemical products. OYSI provides this compound to industrial customers across Europe with proper regulatory compliance and technical support. As a specialty chemical, it requires professional handling and is typically sold in controlled quantities to qualified industrial users. Contact OYSI directly for availability, specifications, and regulatory documentation required for your specific application and location.
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4-[4,4-bis(5-cyclohexyl-4-hydroxy-2-methylphenyl)butan-2-yl]-2-cyclohexyl-5-methylphenol is a dangerous good. We support you with labeling, packaging, and transport documentation.
Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.