4-(2,4,4-trimethylpentan-2-yl)phenol

C14H22O

CAS140-66-9
GHS05 Gefahrensymbol: Ätzend – Ätzwirkung
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
140-66-9
EC Number
205-426-2
UN Number
2430
Index Number
604-075-00-6
PubChem CID
8814

Physical-chemical properties

Molecular Formula
C14H22O
Molar Mass
206.32 g/mol
IUPAC Name
4-(2,4,4-trimethylpentan-2-yl)phenol

Chemical Identifiers

InChI
InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3
InChI Key
ISAVYTVYFVQUDY-UHFFFAOYSA-N

Overview

4-(2,4,4-trimethylpentan-2-yl)phenol (CAS 140-66-9) is an alkylated phenolic compound with antioxidant properties and industrial surfactant applications. This tertiary alkylphenol represents a significant class of industrial chemicals characterized by its branched alkyl chain structure attached to a phenolic ring. The compound, also known by its IUPAC designation 4-(2,4,4-trimethylpentan-2-yl)phenol, features a molecular formula of C14H22O and molecular weight of 206.32 g/mol. Its highly branched trimethylpentyl substituent provides enhanced chemical stability and unique performance characteristics compared to linear alkylphenols. The substance exhibits notable safety considerations requiring careful handling protocols. Classified under GHS pictograms GHS05 and GHS09, it presents skin irritation potential and serious eye damage risks, necessitating appropriate personal protective equipment during industrial operations. Environmental precautions are particularly critical due to its acute and chronic aquatic toxicity classification, requiring controlled release prevention measures. The ADR Class 8 designation reflects its corrosive transport requirements. Primary industrial applications include antioxidant formulations for polymer stabilization, where its phenolic structure provides effective free radical scavenging properties. The compound serves as an intermediate in surfactant production and finds utility in specialty chemical manufacturing. Unlike related compounds such as dicyclopentyl(dimethoxy)silane used in different industrial sectors, this alkylphenol specifically targets applications requiring both chemical stability and controlled reactivity. Industrial users benefit from its thermal stability and compatibility with various polymer matrices, making it valuable in rubber processing and plastic additive formulations. The branched alkyl structure contributes to improved solubility characteristics in organic systems while maintaining phenolic reactivity. OYSI provides reliable access to 4-(2,4,4-trimethylpentan-2-yl)phenol for European industrial customers requiring consistent quality and comprehensive technical support.

Safety & Classification

Danger
Classification:

Skin Irrit. 2; Eye Dam. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H315

Causes skin irritation.

H318

Causes serious eye damage.

H400

Very toxic to aquatic life.

H410

Very 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

Skin Contact

Irritant

Measures if substance contacts the skin

First Aid Actions

  • +P302IF ON SKIN:
  • +P352Wash with plenty of water.
  • +P361Take off immediately all contaminated clothing.
  • +P313Get medical advice/attention.

Related hazard statements:

Eye Contact

Harmful

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 Number2430
ADR Class8
Packing GroupIII
Tunnel CodeE
Proper Shipping Name4-(1,1,3,3-Tetramethylbutyl)phenol, fest
Marine PollutantNo

Frequently Asked Questions

What is 4-(2,4,4-trimethylpentan-2-yl)phenol?

4-(2,4,4-trimethylpentan-2-yl)phenol is an organic chemical compound with the molecular formula C14H22O and CAS number 140-66-9. This phenolic compound has a molecular weight of 206.32 g/mol and features a phenol ring substituted with a highly branched alkyl chain. It belongs to the family of alkylphenols and is classified as a hazardous substance with skin and eye irritant properties, as well as aquatic toxicity concerns.

What are the physicochemical properties of 4-(2,4,4-trimethylpentan-2-yl)phenol?

4-(2,4,4-trimethylpentan-2-yl)phenol is typically a colorless to pale yellow liquid or crystalline solid at room temperature. As an alkylphenol, it exhibits limited water solubility due to its hydrophobic alkyl chain, but dissolves readily in organic solvents such as alcohols, ethers, and aromatic hydrocarbons. The compound has a characteristic phenolic odor and demonstrates typical phenol reactivity including oxidation susceptibility and acid-base behavior.

What is 4-(2,4,4-trimethylpentan-2-yl)phenol used for?

4-(2,4,4-trimethylpentan-2-yl)phenol is primarily used as an intermediate in chemical synthesis and as an antioxidant in various industrial applications. It serves as a building block for producing resins, adhesives, and polymer additives. The compound is also utilized in the manufacture of phenolic compounds, stabilizers for plastics and rubber, and as a component in specialty chemical formulations where its antioxidant properties provide protection against oxidative degradation.

How to handle 4-(2,4,4-trimethylpentan-2-yl)phenol safely?

4-(2,4,4-trimethylpentan-2-yl)phenol requires careful handling with appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work in well-ventilated areas or under fume extraction to avoid inhalation exposure. The substance can cause skin irritation and serious eye damage, so avoid direct contact. Use non-sparking tools and equipment, and ensure proper grounding to prevent static electricity buildup during handling operations.

How to store 4-(2,4,4-trimethylpentan-2-yl)phenol correctly?

4-(2,4,4-trimethylpentan-2-yl)phenol should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Keep the substance away from strong oxidizing agents and incompatible materials. Storage areas should be equipped with appropriate containment measures and maintained at stable temperatures to prevent degradation. Ensure containers are properly labeled and stored according to local chemical storage regulations.

What to do in case of contact with 4-(2,4,4-trimethylpentan-2-yl)phenol?

In case of skin contact with 4-(2,4,4-trimethylpentan-2-yl)phenol, 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 plenty of water for at least 15 minutes and seek medical attention promptly due to the risk of serious eye damage. If inhaled, move the person to fresh air and seek medical advice if symptoms persist.

How to dispose of 4-(2,4,4-trimethylpentan-2-yl)phenol properly?

4-(2,4,4-trimethylpentan-2-yl)phenol waste must be disposed of in accordance with local and national hazardous waste regulations. The substance cannot be discharged to sewers or waterways due to its aquatic toxicity classification. Contact licensed hazardous waste disposal companies for proper collection and treatment. Incineration at authorized high-temperature facilities is typically the preferred disposal method. Empty containers should also be handled as hazardous waste unless properly cleaned and decontaminated.

How to transport 4-(2,4,4-trimethylpentan-2-yl)phenol?

4-(2,4,4-trimethylpentan-2-yl)phenol is classified as ADR Class 8 (Corrosive substances), Packing Group III for transportation purposes. The substance must be packaged in UN-approved containers with appropriate markings, labels, and documentation. Transport vehicles must carry proper placards and emergency response information. Only trained personnel should handle the transportation, and all applicable national and international dangerous goods regulations must be followed during shipping operations.

Is 4-(2,4,4-trimethylpentan-2-yl)phenol subject to special regulations?

4-(2,4,4-trimethylpentan-2-yl)phenol is subject to REACH regulation in Europe and requires registration for manufacture or import above tonnage thresholds. The substance is classified under CLP regulation with specific hazard classifications (Skin Irrit. 2, Eye Dam. 1, Aquatic Acute 1, Aquatic Chronic 1). While not currently listed as an SVHC, users must comply with safety data sheet requirements, classification and labeling obligations, and workplace exposure limits where established.

Where to buy 4-(2,4,4-trimethylpentan-2-yl)phenol in Europe?

4-(2,4,4-trimethylpentan-2-yl)phenol is available through OYSI, a specialized European distributor of technical chemicals. OYSI provides this substance 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 and offers technical support for industrial applications. Contact OYSI directly for availability, specifications, and procurement of this specialized chemical compound.

Data Sources

Classification per CLP Regulation (EC) No 1272/2008. Data from ECHA and PubChem.