4-tert-butylbenzoic acid

C11H14O2

CAS98-73-7
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
Danger

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Identification

CAS Number
98-73-7
EC Number
202-696-3
UN Number
3077
Index Number
607-698-00-1
PubChem CID
7403

Physical-chemical properties

Molecular Formula
C11H14O2
Molar Mass
178.23 g/mol
IUPAC Name
4-tert-butylbenzoic acid

Chemical Identifiers

InChI
InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChI Key
KDVYCTOWXSLNNI-UHFFFAOYSA-N

Overview

4-tert-butylbenzoic acid (CAS 98-73-7) is an aromatic carboxylic acid derivative featuring a tert-butyl substituent that influences its chemical properties and industrial applications. This organic compound represents a significant member of the substituted benzoic acid family, characterized by its unique molecular structure combining a benzoic acid core with a bulky tert-butyl group at the para position. With a molecular formula of C11H14O2 and molecular weight of 178.23 g/mol, this white crystalline substance exhibits distinct physicochemical properties that make it valuable in various industrial processes. The presence of the tert-butyl group significantly affects the compound's steric properties, solubility characteristics, and reactivity compared to unsubstituted benzoic acid. From a safety perspective, 4-tert-butylbenzoic acid requires careful handling due to its classification as a Category 1B reproductive toxicant and Category 4 acute toxicant, along with specific target organ toxicity concerns following repeated exposure. The compound displays GHS08 and GHS07 pictograms with a "Danger" signal word, emphasizing the need for appropriate personal protective equipment and controlled handling procedures in industrial environments. Its ADR Class 9 classification indicates special transportation requirements for miscellaneous dangerous goods. Industrial applications primarily include its use as an intermediate in organic synthesis, particularly in the production of specialized polymers and pharmaceutical compounds. The compound also serves as a precursor for various chemical transformations in fine chemical manufacturing. Unlike simpler aromatic compounds such as diphenyldiazene, the tert-butyl substitution provides enhanced thermal stability and specific reactivity patterns valuable in synthetic chemistry. OYSI maintains reliable supply channels for 4-tert-butylbenzoic acid to support diverse European industrial requirements with comprehensive technical support and regulatory compliance documentation.

Safety & Classification

Danger
Classification:

Repr. 1B; Acute Tox. 4; STOT RE 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H302

Harmful if swallowed.

H372

Causes damage to organs through prolonged or repeated exposure.

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

Ingestion

Harmful

Measures if substance is accidentally swallowed

First Aid Actions

  • +P301IF SWALLOWED:
  • +P330Rinse mouth.
  • +P331Do NOT induce vomiting.
  • +P310Immediately call a POISON CENTER/doctor.

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 Number3077
ADR Class9
Packing GroupIII
Tunnel Code-
Proper Shipping Name4-tert-Butylbenzoesäure
Marine PollutantNo

Frequently Asked Questions

What is 4-tert-butylbenzoic acid?

4-tert-butylbenzoic acid is an aromatic carboxylic acid with the molecular formula C11H14O2 and CAS number 98-73-7. This organic compound features a benzoic acid structure substituted with a tert-butyl group at the para position. With a molecular weight of 178.23 g/mol, it belongs to the category of substituted benzoic acids commonly used in chemical synthesis and industrial applications.

What are the physicochemical properties of 4-tert-butylbenzoic acid?

4-tert-butylbenzoic acid typically appears as a white to off-white crystalline solid at room temperature. As an aromatic carboxylic acid, it exhibits limited solubility in water but dissolves readily in organic solvents such as alcohols, ethers, and aromatic hydrocarbons. The compound has a characteristic mild aromatic odor and demonstrates thermal stability under normal storage conditions.

What is 4-tert-butylbenzoic acid used for?

4-tert-butylbenzoic acid serves primarily as an intermediate in organic synthesis and pharmaceutical manufacturing. It is commonly used in the production of specialty chemicals, polymer additives, and as a building block for more complex aromatic compounds. The substance also finds applications in research laboratories for chemical synthesis and as a starting material for various chemical transformations.

How to handle 4-tert-butylbenzoic acid safely?

4-tert-butylbenzoic acid requires careful handling due to its classification as Acute Tox. 4, Repr. 1B, and STOT RE 1. Always wear appropriate personal protective equipment including safety goggles, protective gloves, and respiratory protection when necessary. Work in well-ventilated areas or under fume extraction systems. Avoid direct contact with skin, eyes, and inhalation of dust or vapors.

How to store 4-tert-butylbenzoic acid correctly?

4-tert-butylbenzoic acid should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from heat sources and direct sunlight. Keep the substance separated from incompatible materials such as strong bases and oxidizing agents. Ensure storage areas comply with local regulations for hazardous substances and maintain proper labeling according to GHS requirements.

What to do in case of contact with 4-tert-butylbenzoic acid?

In case of skin contact with 4-tert-butylbenzoic acid, immediately wash the affected area with plenty of water and soap. For eye contact, rinse thoroughly with water for at least 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. Always consult the safety data sheet for specific first aid measures.

How to dispose of 4-tert-butylbenzoic acid appropriately?

4-tert-butylbenzoic acid waste must be disposed of according to local and national hazardous waste regulations. The substance cannot be disposed of with regular waste due to its hazardous classification. Contact licensed waste disposal companies specializing in chemical waste management. Small quantities may be neutralized under controlled conditions by qualified personnel before disposal, following applicable environmental regulations.

How to transport 4-tert-butylbenzoic acid?

4-tert-butylbenzoic acid is classified under ADR Class 9 (Miscellaneous dangerous substances), Packing Group III. Transportation requires appropriate packaging meeting UN specifications and proper hazardous goods documentation. Vehicles must carry appropriate placards and emergency information. Drivers need ADR certification for dangerous goods transport. Ensure compliance with international transport regulations for hazardous materials.

Is 4-tert-butylbenzoic acid subject to specific regulations?

4-tert-butylbenzoic acid is subject to REACH regulation requiring registration for manufacture or import above one tonne annually. The substance falls under CLP regulation for classification and labeling with pictograms GHS07 and GHS08. While not currently listed as SVHC, its Repr. 1B classification requires compliance with reproductive toxicity restrictions and workplace exposure limits in various jurisdictions.

Where to buy 4-tert-butylbenzoic acid in Europe?

4-tert-butylbenzoic acid is available through OYSI, a European distributor of technical chemicals serving various industries across the continent. As a specialized chemical distributor, OYSI provides this substance with proper documentation, safety data sheets, and regulatory compliance support. Contact OYSI directly for availability, technical specifications, and delivery options tailored to your specific requirements and location within Europe.

Data Sources

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