1-methyl-4-propan-2-ylbenzene

C10H14

CAS99-87-6
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS06 Gefahrensymbol: Giftig – Totenkopf mit Knochen
GHS08 Gefahrensymbol: Gesundheitsgefahr – Gesundheitsgefahr
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
Danger

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Identification

CAS Number
99-87-6
EC Number
202-796-7
UN Number
2046
Index Number
601-094-00-1
PubChem CID
7463

Physical-chemical properties

Molecular Formula
C10H14
Molar Mass
134.22 g/mol
IUPAC Name
1-methyl-4-propan-2-ylbenzene

Chemical Identifiers

InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI Key
HFPZCAJZSCWRBC-UHFFFAOYSA-N

Overview

1-methyl-4-propan-2-ylbenzene (CAS 99-87-6) is an aromatic hydrocarbon compound with flammable properties and characteristic terpene-like odor. This organic chemical, also known by its EC number 202-796-7, belongs to the monosubstituted benzene family with a molecular formula of C10H14 and molecular weight of 134.22 g/mol. The compound features a benzene ring substituted with both methyl and isopropyl groups, creating a structure that exhibits typical aromatic hydrocarbon behavior with enhanced lipophilic characteristics due to its alkyl substituents. From a safety perspective, 1-methyl-4-propan-2-ylbenzene presents multiple hazard classifications requiring careful handling protocols. The substance is classified as a flammable liquid (Category 3) and carries acute toxicity warnings (Category 3), necessitating appropriate fire prevention measures and personal protective equipment during handling. The aspiration toxicity classification (Category 1) indicates significant risks if ingested and subsequently inhaled into the lungs. Environmental considerations are also important, as the compound shows aquatic chronic toxicity (Category 2), requiring controlled disposal and spill prevention measures. The ADR Class 3 designation confirms its status as a dangerous good requiring specialized transportation protocols. Industrial applications of this aromatic compound span several sectors, particularly in the fragrance and flavor industry where its distinctive odor profile makes it valuable as an intermediate or additive. The chemical also finds use in organic synthesis processes, serving as a building block for more complex aromatic compounds. Unlike simpler chemicals such as prop-2-enenitrile, this benzene derivative offers unique structural properties that make it suitable for specialized chemical manufacturing applications. OYSI maintains reliable supply chains for 1-methyl-4-propan-2-ylbenzene to serve diverse industrial requirements across European markets.

Safety & Classification

Danger
Classification:

Flam. Liq. 3; Acute Tox. 3; Asp. Tox. 1; Aquatic Chronic 2

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H331

Toxic if inhaled.

H304

May be fatal if swallowed and enters airways.

H411

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

Inhalation

Toxic

Measures if vapours or dust are inhaled

First Aid Actions

  • +P304IF INHALED:
  • +P340Remove person to fresh air and keep comfortable for breathing.
  • +P311Call a POISON CENTER/doctor.

Related hazard statements:

Ingestion

Toxic

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 Number2046
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping Namep-Cymen
Marine PollutantNo

Frequently Asked Questions

What is 1-methyl-4-propan-2-ylbenzene?

1-methyl-4-propan-2-ylbenzene is an aromatic hydrocarbon compound with the molecular formula C10H14 and CAS number 99-87-6. Also known as para-cymene, it belongs to the family of monoterpenes and consists of a benzene ring substituted with a methyl group and an isopropyl group in para position. With a molecular weight of 134.22 g/mol, this colorless liquid exhibits characteristic aromatic properties and is classified as a flammable substance with multiple hazard classifications including acute toxicity and aspiration hazard.

What are the physicochemical properties of 1-methyl-4-propan-2-ylbenzene?

1-methyl-4-propan-2-ylbenzene is a colorless to pale yellow liquid at room temperature with a characteristic aromatic, citrus-like odor. The compound has a molecular weight of 134.22 g/mol and demonstrates typical aromatic hydrocarbon properties. It is practically insoluble in water but readily soluble in organic solvents such as alcohols, ethers, and other hydrocarbons. The substance exhibits flammable properties and volatility at ambient temperatures, contributing to its classification as a flammable liquid category 3.

What is 1-methyl-4-propan-2-ylbenzene used for?

1-methyl-4-propan-2-ylbenzene serves as an important industrial intermediate and solvent in various chemical processes. It is commonly used in the synthesis of fragrances, flavoring agents, and other aromatic compounds due to its pleasant citrus-like odor. The compound also finds applications as a solvent in paint and coating formulations, as well as in the production of resins and polymers. Additionally, it serves as a precursor in the manufacture of various chemical intermediates and specialty chemicals in pharmaceutical and cosmetic industries.

How to handle 1-methyl-4-propan-2-ylbenzene safely?

1-methyl-4-propan-2-ylbenzene requires careful handling due to its flammable nature and toxicity classifications. Personnel must wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Work should be conducted in well-ventilated areas or under fume hoods to prevent vapor inhalation. Avoid contact with skin and eyes, and eliminate all ignition sources including open flames, sparks, and hot surfaces. Ground all equipment to prevent static discharge, and use explosion-proof electrical equipment in areas where vapors may accumulate.

How to store 1-methyl-4-propan-2-ylbenzene correctly?

1-methyl-4-propan-2-ylbenzene must be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Use appropriate containers made of compatible materials and ensure they are tightly sealed to prevent vapor release. The storage area should be equipped with fire suppression systems and maintained below 25°C when possible. Keep away from incompatible materials such as strong oxidizing agents, acids, and bases. Ensure proper grounding of containers and use appropriate secondary containment to prevent environmental contamination in case of spills.

What to do in case of contact with 1-methyl-4-propan-2-ylbenzene?

Immediate action is required in case of contact with 1-methyl-4-propan-2-ylbenzene due to its acute toxicity classification. For skin contact, remove contaminated clothing and wash affected area thoroughly with soap and water for at least 15 minutes. In case of eye contact, rinse immediately with clean water for at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. If swallowed, do not induce vomiting due to aspiration hazard - seek immediate medical attention and provide medical personnel with the safety data sheet.

How to dispose of 1-methyl-4-propan-2-ylbenzene properly?

1-methyl-4-propan-2-ylbenzene must be disposed of according to local, national, and EU waste regulations as a hazardous chemical waste. The substance cannot be disposed of in regular waste streams due to its flammable and toxic properties. 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 treated as hazardous waste unless properly cleaned. Ensure all disposal activities comply with waste framework directive and local environmental protection requirements.

How to transport 1-methyl-4-propan-2-ylbenzene?

1-methyl-4-propan-2-ylbenzene is classified as ADR Class 3 (flammable liquids), Packing Group III for transportation purposes. Transport must comply with ADR/RID regulations for dangerous goods, requiring appropriate packaging, labeling, and documentation. Vehicles must carry proper placarding and emergency equipment. Drivers need ADR certification for Class 3 substances. Use UN-approved packaging and ensure proper securing of containers to prevent damage during transport. Transport documents must include proper shipping name, UN number, hazard class, and emergency contact information for compliance with international dangerous goods regulations.

Is 1-methyl-4-propan-2-ylbenzene subject to specific regulations?

1-methyl-4-propan-2-ylbenzene is subject to various European chemical regulations including REACH registration requirements and CLP classification standards. The substance is classified under multiple hazard categories requiring specific labeling with GHS pictograms (GHS02, GHS06, GHS08, GHS09) and 'Danger' signal word. It falls under workplace safety regulations due to its acute toxicity and aspiration hazard classifications. However, it is not currently listed as a Substance of Very High Concern (SVHC). Companies must ensure proper risk assessments, safety data sheets, and worker protection measures are implemented according to occupational health regulations.

Where to buy 1-methyl-4-propan-2-ylbenzene in Europe?

1-methyl-4-propan-2-ylbenzene is available through OYSI, a specialized European distributor of technical chemicals and industrial raw materials. OYSI provides reliable supply chains across Europe with proper documentation including certificates of analysis and safety data sheets compliant with European regulations. As a professional chemical distributor, OYSI ensures proper packaging, labeling, and transportation according to ADR requirements. Contact OYSI's technical sales team for specific grades, quantities, and delivery options to meet your industrial or research requirements while ensuring full regulatory compliance and quality assurance.

Data Sources

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