2-(4-tert-butylphenyl)ethanol
C12H18O
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Identification
- CAS Number
- 5406-86-0
- EC Number
- 410-020-5
- UN Number
- 3077
- Index Number
- 603-152-00-1
- PubChem CID
- 79410
Physical-chemical properties
- Molecular Formula
- C12H18O
- Molar Mass
- 178.27 g/mol
- IUPAC Name
- 2-(4-tert-butylphenyl)ethanol
Chemical Identifiers
- InChI
- InChI=1S/C12H18O/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7,13H,8-9H2,1-3H3
- InChI Key
- NZGMMENPUKHODD-UHFFFAOYSA-N
Overview
2-(4-tert-butylphenyl)ethanol (CAS 5406-86-0) is an aromatic alcohol compound with phenylethyl structure and tertiary butyl substitution properties. This specialized aromatic alcohol represents an important intermediate in organic synthesis and industrial chemistry applications. The compound features a phenyl ring substituted with a tert-butyl group at the para position, connected to an ethanol chain, which contributes to its unique chemical reactivity and physical properties. With the molecular formula C12H18O and a molecular weight of 178.27 g/mol, this substance exhibits characteristics typical of both aromatic compounds and primary alcohols. The presence of the bulky tert-butyl group significantly influences the compound's steric properties and reactivity patterns, making it valuable for specific synthetic applications where controlled reactivity is essential. This structural feature also affects its solubility profile and thermal stability compared to simpler phenylethanol derivatives. From a safety perspective, 2-(4-tert-butylphenyl)ethanol requires careful handling due to its classification as a reproductive toxicant category 2 and potential for causing serious eye damage. The compound also presents concerns for specific target organ toxicity following repeated exposure and shows chronic aquatic toxicity properties. These hazard classifications necessitate appropriate personal protective equipment and controlled storage conditions in industrial settings. The compound finds applications primarily as a chemical intermediate in pharmaceutical synthesis, specialty polymer production, and fragrance manufacturing. Its unique structural properties make it particularly valuable in developing compounds with enhanced stability profiles. While sharing some applications with related aromatic compounds like benzene-1,4-diol in polymer chemistry, its specific substitution pattern offers distinct advantages in certain synthetic routes. OYSI maintains reliable supply chains for 2-(4-tert-butylphenyl)ethanol to support European industrial customers' specialized chemical requirements.
Safety & Classification
Repr. 2; STOT RE 2 *; Eye Dam. 1; Aquatic Chronic 2
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
Eye Contact
Measures if substance gets into the eyes
First Aid Actions
- +P305IF IN EYES:
- +P351Rinse cautiously with water for several minutes.
- +P338Remove contact lenses, if present and easy to do. Continue rinsing.
- +P313Get medical advice/attention.
Related hazard statements:
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 | 3077 |
| ADR Class | 9 |
| Packing Group | III |
| Tunnel Code | - |
| Proper Shipping Name | 2-(4-tert-Butylphenyl)ethanol, fest |
| Marine Pollutant | No |
Frequently Asked Questions
What is 2-(4-tert-butylphenyl)ethanol?
2-(4-tert-butylphenyl)ethanol is an aromatic alcohol compound with the molecular formula C12H18O and CAS number 5406-86-0. This organic chemical features a phenyl ring substituted with a tert-butyl group and an ethanol chain. With a molecular weight of 178.27 g/mol, it is classified as a hazardous substance requiring careful handling due to its reproductive toxicity, eye damage potential, and specific target organ toxicity properties.
What are the physicochemical properties of 2-(4-tert-butylphenyl)ethanol?
2-(4-tert-butylphenyl)ethanol is typically a liquid or solid organic compound at room temperature, depending on purity and conditions. As an aromatic alcohol, it likely exhibits moderate polarity due to its hydroxyl group, allowing some water solubility while maintaining significant organic solvent compatibility. The tert-butyl substitution on the phenyl ring increases its molecular bulk and affects its physical properties compared to simpler phenylethanol derivatives.
What is 2-(4-tert-butylphenyl)ethanol used for?
2-(4-tert-butylphenyl)ethanol is primarily used as an intermediate in organic synthesis and chemical manufacturing processes. Its aromatic alcohol structure makes it valuable for producing fragrances, pharmaceuticals, and specialty chemicals. The compound may also serve as a building block for polymer synthesis, surface-active agents, or other fine chemicals where its specific molecular structure provides desired properties in final products.
How to handle 2-(4-tert-butylphenyl)ethanol safely?
2-(4-tert-butylphenyl)ethanol requires strict safety measures including chemical-resistant gloves, safety goggles, and protective clothing to prevent skin and eye contact. Work in well-ventilated areas or under fume hoods to avoid inhalation. Given its reproductive toxicity (Repr. 2) and eye damage potential (Eye Dam. 1), pregnant workers should avoid exposure, and emergency eyewash stations must be accessible during handling operations.
How to store 2-(4-tert-butylphenyl)ethanol correctly?
2-(4-tert-butylphenyl)ethanol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and incompatible materials. Keep containers upright and properly labeled according to GHS requirements. Storage areas should be equipped with appropriate spill containment measures and restricted to authorized personnel only. Regular inspection of containers for leaks or deterioration is essential for safe storage.
What to do in case of contact with 2-(4-tert-butylphenyl)ethanol?
Immediate action is required for any contact with 2-(4-tert-butylphenyl)ethanol. For eye contact, flush immediately with plenty of water for at least 15 minutes and seek medical attention due to serious eye damage risk. For skin contact, wash thoroughly with soap and water. If inhaled, move to fresh air immediately. Remove contaminated clothing and seek medical attention if symptoms develop or exposure is significant.
How to dispose of 2-(4-tert-butylphenyl)ethanol properly?
2-(4-tert-butylphenyl)ethanol must be disposed of as hazardous waste through licensed waste management companies in compliance with local and EU regulations. Due to its aquatic toxicity classification (Aquatic Chronic 2), it cannot be discharged to water systems. Incineration at authorized facilities is typically the preferred disposal method. Containers should be triple-rinsed and handled as hazardous waste as well.
How to transport 2-(4-tert-butylphenyl)ethanol?
2-(4-tert-butylphenyl)ethanol is classified as ADR Class 9 (Miscellaneous dangerous goods), Packing Group III for transport purposes. This classification requires appropriate packaging, labeling, and documentation according to dangerous goods regulations. Vehicles must carry proper placarding, and drivers need ADR certification. The relatively lower risk Group III classification allows for somewhat less restrictive transport requirements compared to higher-risk classifications.
Is 2-(4-tert-butylphenyl)ethanol subject to specific regulations?
2-(4-tert-butylphenyl)ethanol is subject to REACH registration requirements and CLP classification regulations in the EU. While not currently listed as an SVHC (Substance of Very High Concern), its reproductive toxicity classification (Repr. 2) means it may face future regulatory restrictions. Users must comply with workplace exposure limits, proper labeling requirements, and safety data sheet provisions. Import and use may require specific registrations or notifications.
Where to buy 2-(4-tert-butylphenyl)ethanol in Europe?
2-(4-tert-butylphenyl)ethanol is available through OYSI, a specialized European distributor of technical chemicals serving industrial and research customers. OYSI provides this compound with full regulatory compliance, including proper documentation, safety data sheets, and appropriate packaging. As a professional chemical distributor, OYSI ensures product quality and regulatory conformity for customers across Europe requiring this specialized aromatic alcohol for their applications.
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2-(4-tert-butylphenyl)ethanol 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.