1,4-ditert-butylbenzene
C14H22
Consulting for 1,4-ditert-butylbenzene
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Identification
- CAS Number
- 1012-72-2
- EC Number
- 213-790-9
- UN Number
- 3077
- PubChem CID
- 13895
Physical-chemical properties
- Molecular Formula
- C14H22
- Molar Mass
- 190.32 g/mol
- IUPAC Name
- 1,4-ditert-butylbenzene
Chemical Identifiers
- InChI
- InChI=1S/C14H22/c1-13(2,3)11-7-9-12(10-8-11)14(4,5)6/h7-10H,1-6H3
- InChI Key
- OOWNNCMFKFBNOF-UHFFFAOYSA-N
Overview
1,4-Ditert-butylbenzene (CAS 1012-72-2) is an aromatic hydrocarbon compound featuring two tert-butyl substituents in para position on the benzene ring. This organic compound belongs to the family of substituted benzenes and serves as an important intermediate in various chemical processes. With its molecular formula C14H22 and molecular weight of 190.32 g/mol, 1,4-ditert-butylbenzene exhibits distinctive properties due to the steric hindrance created by the bulky tert-butyl groups positioned at opposite ends of the benzene ring. The compound is classified under ADR Class 9 for transportation purposes, indicating it requires standard handling precautions for miscellaneous dangerous goods. The symmetrical structure of 1,4-ditert-butylbenzene provides enhanced thermal stability compared to related compounds such as 1,4-di(propan-2-yl)benzene, making it particularly valuable in high-temperature applications. Its chemical stability stems from the electron-donating effects of the tert-butyl groups, which also influence its reactivity patterns in various chemical transformations. In industrial applications, 1,4-ditert-butylbenzene finds primary use as a chemical intermediate in the synthesis of specialty polymers and as a building block for advanced materials. The compound also serves as a precursor in the production of antioxidants and stabilizers for polymer applications. Additionally, it functions as a starting material for the manufacture of specialty chemicals used in electronic materials and high-performance coatings. The para-substitution pattern makes this compound particularly useful in applications requiring predictable chemical behavior and consistent product properties. Its robust molecular structure ensures reliable performance in demanding industrial environments. OYSI maintains reliable supply chains for 1,4-ditert-butylbenzene to support European chemical manufacturing operations.
Safety & Classification
No Hazard Classification
This substance is not classified as hazardous according to CLP Regulation (EC) No 1272/2008.
Transport (ADR)
| UN Number | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 1,4-Di-tert-butylbenzen |
| Marine Pollutant | No |
Frequently Asked Questions
What is 1,4-ditert-butylbenzene?
1,4-ditert-butylbenzene is an aromatic organic compound with the molecular formula C14H22 and CAS number 1012-72-2. This substance features a benzene ring substituted with two tert-butyl groups in the para position (1,4-configuration). With a molecular weight of 190.32 g/mol, it belongs to the class of alkylated benzenes and is commonly used as an intermediate in various chemical processes.
What are the physicochemical properties of 1,4-ditert-butylbenzene?
1,4-ditert-butylbenzene is typically a colorless to pale yellow liquid at room temperature with a characteristic aromatic odor. Due to its aromatic structure and bulky tert-butyl substituents, it exhibits low water solubility but good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The compound has a relatively high boiling point due to its molecular structure and intermolecular interactions.
What is 1,4-ditert-butylbenzene used for?
1,4-ditert-butylbenzene is primarily used as a chemical intermediate in the synthesis of antioxidants, UV stabilizers, and polymer additives. It serves as a precursor in the production of hindered phenolic antioxidants for plastics and rubber applications. Additionally, it finds use in research and development activities, specialty chemical manufacturing, and as a building block for advanced materials in the electronics and automotive industries.
How to handle 1,4-ditert-butylbenzene safely?
1,4-ditert-butylbenzene should be handled using standard laboratory safety practices including wearing appropriate personal protective equipment such as safety goggles, chemical-resistant gloves, and protective clothing. Work in well-ventilated areas or under fume hoods to minimize inhalation exposure. Avoid direct skin and eye contact, and prevent ingestion. Use proper grounding techniques when transferring the material to prevent static electricity buildup.
How to store 1,4-ditert-butylbenzene correctly?
1,4-ditert-butylbenzene should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Keep containers upright and properly labeled. Store away from strong oxidizing agents and incompatible materials. Maintain storage temperatures according to supplier recommendations and ensure adequate secondary containment to prevent environmental release in case of container failure.
What to do in case of contact with 1,4-ditert-butylbenzene?
In case of skin contact with 1,4-ditert-butylbenzene, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water for at least 15 minutes. For eye contact, rinse immediately with clean water for 15 minutes and seek medical attention. If inhaled, move to fresh air immediately. In case of ingestion, do not induce vomiting and seek immediate medical attention.
How to dispose of 1,4-ditert-butylbenzene appropriately?
1,4-ditert-butylbenzene waste must be disposed of in accordance with local, national, and international environmental regulations. Contact licensed waste disposal companies for proper treatment and disposal. Do not discharge into drains, sewers, or waterways. Contaminated containers should be treated as hazardous waste. Consider recycling or recovery options when economically feasible and environmentally appropriate. Always consult current waste disposal regulations in your jurisdiction.
How to transport 1,4-ditert-butylbenzene?
1,4-ditert-butylbenzene is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III for transportation purposes. It must be packaged in approved containers and labeled according to dangerous goods regulations. Transport documentation must include proper shipping names and hazard classifications. Drivers must be trained in dangerous goods transport, and vehicles should carry appropriate emergency equipment and spill response materials.
Is 1,4-ditert-butylbenzene subject to specific regulations?
1,4-ditert-butylbenzene is subject to standard chemical regulations including REACH registration requirements in the European Union for commercial use above specified tonnage thresholds. It is not classified as a Substance of Very High Concern (SVHC) and currently has no specific GHS hazard classification. However, users must comply with general chemical safety regulations, workplace exposure limits, and environmental protection requirements in their respective jurisdictions.
Where to buy 1,4-ditert-butylbenzene in Europe?
1,4-ditert-butylbenzene is available from OYSI, a trusted European distributor of specialty chemicals serving various industries across Europe. OYSI provides high-quality chemical products with proper documentation, regulatory compliance, and technical support. As a specialized chemical distributor, OYSI ensures reliable supply chains and maintains extensive product knowledge to support customer applications. Contact OYSI directly for availability, specifications, and ordering information.
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Data Sources
Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.