2-hexadecan-2-yl-4,6-dimethylphenol
C24H42O
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Identification
- CAS Number
- 134701-20-5
- EC Number
- 411-220-5
- UN Number
- 3082
- Index Number
- 604-062-00-5
- PubChem CID
- 164362
Physical-chemical properties
- Molecular Formula
- C24H42O
- Molar Mass
- 346.60 g/mol
- IUPAC Name
- 2-hexadecan-2-yl-4,6-dimethylphenol
Chemical Identifiers
- InChI
- InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3
- InChI Key
- TVWGHFVGFWIHFN-UHFFFAOYSA-N
Overview
2-hexadecan-2-yl-4,6-dimethylphenol (CAS 134701-20-5) is a hindered phenolic compound featuring a long-chain alkyl substituent and multiple methyl groups for enhanced antioxidant properties. This specialized phenolic antioxidant combines a phenolic hydroxyl group with strategic methyl substitutions at the 4 and 6 positions, along with a branched hexadecyl chain at the 2 position. The molecular structure (C24H42O, 346.6 g/mol) provides both antioxidant functionality and hydrophobic characteristics, making it particularly effective in non-polar systems requiring oxidation protection. The compound belongs to the hindered phenol family, which includes related substances such as 4-tert-butyl-2-hexadecan-2-yl-6-methylphenol, sharing similar structural features and protective mechanisms. The substance presents moderate safety considerations, classified as Warning under GHS with pictograms GHS07 and GHS09. Primary hazards include skin irritation (Skin Irrit. 2) and skin sensitization potential (Skin Sens. 1), requiring appropriate personal protective equipment during handling. Environmental precautions are necessary due to its aquatic toxicity classification (Aquatic Acute 1, Aquatic Chronic 1). The compound falls under ADR Class 9 for transportation purposes. Primary industrial applications include polymer stabilization, particularly in polyolefins and synthetic rubbers where long-term thermal stability is critical. It serves effectively in lubricant formulations, protecting against oxidative degradation in high-temperature environments. Additionally, the compound finds use in specialty coatings and adhesives requiring extended shelf life and performance stability. OYSI maintains reliable supply chains for 2-hexadecan-2-yl-4,6-dimethylphenol, supporting European industrial customers with consistent availability and technical expertise for specialized antioxidant applications.
Safety & Classification
Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1
GHS Pictograms
HHazard Statements (H-Statements)
Describe the nature and severity of the hazard
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
General Measures
Emergency 112 | Poison Control: +49 30 19240 (DE), +33 1 45 42 59 59 (FR), +31 30 274 88 88 (NL)
First aid measures are based on CLP classification and associated P-statements. They do not replace the Safety Data Sheet (SDS). In case of emergency, always consult the full SDS and a physician.
Transport (ADR)
| UN Number | 3082 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2,4-Dimethyl-6-(1-methylpentadecyl)phenol |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-hexadecan-2-yl-4,6-dimethylphenol?
2-hexadecan-2-yl-4,6-dimethylphenol is a synthetic phenolic compound with the molecular formula C24H42O and CAS number 134701-20-5. This organic chemical features a phenol ring substituted with two methyl groups and a long hexadecane chain, giving it a molecular weight of 346.6 g/mol. It belongs to the class of alkylated phenols and exhibits both skin sensitizing properties and environmental hazards according to its GHS classification.
What are the physicochemical properties of 2-hexadecan-2-yl-4,6-dimethylphenol?
2-hexadecan-2-yl-4,6-dimethylphenol is an organic compound with a molecular weight of 346.6 g/mol and formula C24H42O. Due to its long alkyl chain and phenolic structure, it likely exists as a viscous liquid or waxy solid at room temperature. The compound is expected to have low water solubility due to its hydrophobic hexadecane chain, while being soluble in organic solvents. Its phenolic nature contributes to its chemical reactivity and stability properties.
What is 2-hexadecan-2-yl-4,6-dimethylphenol used for?
2-hexadecan-2-yl-4,6-dimethylphenol is primarily used as an antioxidant and stabilizer in various industrial applications. Its phenolic structure makes it effective at preventing oxidative degradation in polymers, lubricants, and other chemical formulations. The long alkyl chain provides compatibility with hydrophobic materials and enhances solubility in non-polar systems. It may also find applications in specialty chemical synthesis and as an intermediate in the production of other phenolic compounds.
How to handle 2-hexadecan-2-yl-4,6-dimethylphenol safely?
2-hexadecan-2-yl-4,6-dimethylphenol requires careful handling due to its skin irritant and sensitizing properties (Skin Irrit. 2, Skin Sens. 1). Wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation in work areas and avoid skin and eye contact. Use the substance in well-ventilated areas or under fume hoods. Emergency eyewash stations and safety showers should be readily accessible when working with this material.
How to store 2-hexadecan-2-yl-4,6-dimethylphenol correctly?
2-hexadecan-2-yl-4,6-dimethylphenol should be stored in a cool, dry, well-ventilated area away from sources of ignition and incompatible materials. Keep containers tightly closed and protected from light to prevent degradation. Due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1), ensure proper containment to prevent environmental release. Store away from oxidizing agents and strong bases that may react with the phenolic compound. Maintain temperatures according to supplier specifications.
What to do in case of contact with 2-hexadecan-2-yl-4,6-dimethylphenol?
In case of skin contact with 2-hexadecan-2-yl-4,6-dimethylphenol, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, flush immediately with clean water for at least 15 minutes while holding eyelids open. If irritation persists or sensitization symptoms develop, seek medical attention promptly. Do not induce vomiting if ingested. Remove the person to fresh air if inhaled and seek medical advice if symptoms occur.
How to dispose of 2-hexadecan-2-yl-4,6-dimethylphenol properly?
2-hexadecan-2-yl-4,6-dimethylphenol must be disposed of according to local and national hazardous waste regulations due to its environmental hazard classification. The substance should never be released to the environment given its aquatic toxicity (Aquatic Acute 1, Aquatic Chronic 1). Contact licensed waste disposal companies for proper treatment and disposal. Incineration at appropriate high-temperature facilities may be suitable. Contaminated packaging should also be treated as hazardous waste and disposed of accordingly.
How to transport 2-hexadecan-2-yl-4,6-dimethylphenol?
2-hexadecan-2-yl-4,6-dimethylphenol is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III, indicating it presents a relatively lower transport risk. The substance must be packaged in UN-approved containers and properly labeled with appropriate hazard markings and documentation. Transport vehicles should carry appropriate emergency response information. Due to its environmental hazards, special precautions must be taken to prevent spills during transport. Comply with all applicable dangerous goods transportation regulations.
Is 2-hexadecan-2-yl-4,6-dimethylphenol subject to specific regulations?
2-hexadecan-2-yl-4,6-dimethylphenol is subject to REACH regulation in Europe and must comply with CLP classification requirements (GHS07, GHS09 pictograms with Warning signal word). The substance is not currently listed as a Substance of Very High Concern (SVHC). However, its skin sensitizing and environmental hazard properties require appropriate risk management measures. Users must ensure proper safety data sheets are available and follow occupational exposure limits where established. Environmental discharge may be restricted under water protection regulations.
Where to buy 2-hexadecan-2-yl-4,6-dimethylphenol in Europe?
2-hexadecan-2-yl-4,6-dimethylphenol is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this compound to industrial customers across Europe with proper documentation including safety data sheets and certificates of analysis. As a professional chemical distributor, OYSI ensures compliance with European regulations including REACH requirements. Contact OYSI directly for availability, technical specifications, packaging options, and delivery to your location within Europe for your industrial applications.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.