1-methyl-4-prop-1-en-2-ylcyclohexene

C10H16

CAS138-86-3
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS07 Gefahrensymbol: Gesundheitsschädlich/Reizend – Ausrufezeichen
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
138-86-3
EC Number
205-341-0
UN Number
2052
Index Number
601-029-00-7
PubChem CID
22311

Physical-chemical properties

Molecular Formula
C10H16
Molar Mass
136.23 g/mol
IUPAC Name
1-methyl-4-prop-1-en-2-ylcyclohexene

Chemical Identifiers

InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
InChI Key
XMGQYMWWDOXHJM-UHFFFAOYSA-N

Overview

1-methyl-4-prop-1-en-2-ylcyclohexene (CAS 138-86-3) is a cyclic monoterpene hydrocarbon with flammable properties and distinctive sensory characteristics. This organic compound, with molecular formula C10H16 and molecular weight 136.23 g/mol, belongs to the terpene family and exhibits significant industrial relevance across multiple applications. The substance presents as a flammable liquid classified under ADR Class 3, requiring careful handling protocols in accordance with its GHS02, GHS07, and GHS09 pictograms and "Warning" signal word designation. From a safety perspective, 1-methyl-4-prop-1-en-2-ylcyclohexene demonstrates moderate hazard characteristics including skin irritation potential (Skin Irrit. 2), skin sensitization properties (Skin Sens. 1), and notable aquatic toxicity concerns (Aquatic Acute 1, Aquatic Chronic 1). These classification parameters necessitate appropriate personal protective equipment and environmental safeguards during handling and storage operations. The compound finds primary application in fragrance and flavor industries due to its aromatic properties, serving as an intermediate in specialty chemical synthesis. Additionally, it functions as a valuable building block in pharmaceutical manufacturing processes and acts as a solvent component in specific formulations. Unlike simpler aromatic compounds such as 1,3,5-trimethylbenzene, this cyclohexene derivative offers enhanced reactivity through its unsaturated structure, making it particularly useful in polymer chemistry applications. Industrial users appreciate its compatibility with various chemical processes while maintaining stable handling characteristics under controlled conditions. The substance's terpene nature provides unique reactivity patterns that distinguish it from conventional hydrocarbon solvents. OYSI maintains reliable supply chains for 1-methyl-4-prop-1-en-2-ylcyclohexene, ensuring consistent availability for European industrial customers requiring this specialized chemical intermediate.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; Skin Irrit. 2; Skin Sens. 1; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

H315

Causes skin irritation.

H317

May cause an allergic skin reaction.

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:

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 Number2052
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping NameDipenten
Marine PollutantNo

Frequently Asked Questions

What is 1-methyl-4-prop-1-en-2-ylcyclohexene?

1-methyl-4-prop-1-en-2-ylcyclohexene is a monoterpene hydrocarbon with the molecular formula C10H16 and CAS number 138-86-3. This organic compound belongs to the cyclohexene family and features a six-membered ring with two substituents: a methyl group and a prop-1-en-2-yl group. With a molecular weight of 136.23 g/mol, it is commonly known by various trade names and is widely used in industrial applications due to its characteristic chemical properties and natural occurrence in certain essential oils.

What are the physicochemical properties of 1-methyl-4-prop-1-en-2-ylcyclohexene?

1-methyl-4-prop-1-en-2-ylcyclohexene is a colorless to pale yellow liquid at room temperature with a characteristic terpenic odor. As a hydrocarbon with molecular formula C10H16, it exhibits low water solubility but good solubility in organic solvents such as alcohols, ethers, and hydrocarbons. The compound has a density lower than water and demonstrates typical properties of unsaturated hydrocarbons, including reactivity towards oxidizing agents and potential for polymerization under certain conditions.

What is 1-methyl-4-prop-1-en-2-ylcyclohexene used for?

1-methyl-4-prop-1-en-2-ylcyclohexene is primarily used as a fragrance ingredient in perfumery and cosmetics due to its pleasant aromatic properties. It serves as an intermediate in organic synthesis for producing other terpene derivatives and specialty chemicals. The compound finds applications in the manufacture of flavoring agents, cleaning products, and industrial solvents. Additionally, it is utilized in research and development for creating new chemical compounds and in the production of adhesives and coatings where its specific chemical structure provides desired performance characteristics.

How to handle 1-methyl-4-prop-1-en-2-ylcyclohexene safely?

1-methyl-4-prop-1-en-2-ylcyclohexene requires careful handling as it is classified as flammable liquid category 3 and skin sensitizer category 1. Essential protective equipment includes chemical-resistant gloves, safety goggles, and protective clothing to prevent skin contact. Work in well-ventilated areas away from ignition sources, heat, and open flames. Use explosion-proof electrical equipment and avoid generating static electricity. Implement proper grounding procedures and have appropriate fire extinguishing equipment readily available. Regular skin contact should be avoided due to potential sensitization effects.

How to store 1-methyl-4-prop-1-en-2-ylcyclohexene correctly?

1-methyl-4-prop-1-en-2-ylcyclohexene should be stored in a cool, dry, well-ventilated area away from heat sources, sparks, and open flames. Use only approved containers made of compatible materials and ensure they are tightly sealed to prevent vapor escape. Storage areas must be equipped with fire suppression systems and maintained below 25°C when possible. Keep away from oxidizing agents and strong acids which may cause dangerous reactions. Implement proper inventory rotation and regularly inspect containers for signs of deterioration or leakage.

What to do in case of contact with 1-methyl-4-prop-1-en-2-ylcyclohexene?

In case of skin contact with 1-methyl-4-prop-1-en-2-ylcyclohexene, 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 at least 15 minutes and seek medical attention. If inhaled, move the person to fresh air and monitor breathing. In case of ingestion, do not induce vomiting and seek immediate medical attention. Due to its skin sensitizing properties, monitor for allergic reactions and contact a physician if irritation persists or develops.

How to dispose of 1-methyl-4-prop-1-en-2-ylcyclohexene appropriately?

1-methyl-4-prop-1-en-2-ylcyclohexene must be disposed of as hazardous waste in accordance with local, national, and EU regulations. Contact licensed waste disposal companies specializing in flammable organic chemicals. The substance cannot be disposed of in regular drains or municipal waste systems due to its environmental hazard classification (Aquatic Acute 1, Aquatic Chronic 1). Ensure proper classification under waste codes and maintain disposal documentation. Consider recovery or recycling options where economically viable before disposal. Empty containers may retain hazardous residues and require similar treatment.

How to transport 1-methyl-4-prop-1-en-2-ylcyclohexene?

1-methyl-4-prop-1-en-2-ylcyclohexene is classified under ADR Class 3 (Flammable Liquids), Packing Group III for transport purposes. Shipments must comply with dangerous goods regulations including proper packaging in UN-approved containers with appropriate hazard labels and placards. Transport documents must include the correct shipping name, UN number, and emergency response information. Vehicles must be equipped with appropriate fire extinguishing equipment and drivers must hold valid dangerous goods training certificates. Avoid transport during extreme weather conditions and ensure proper load securing.

Is 1-methyl-4-prop-1-en-2-ylcyclohexene subject to specific regulations?

1-methyl-4-prop-1-en-2-ylcyclohexene is subject to EU REACH regulation requiring registration for manufacture or import above one tonne annually. Under CLP regulation, it must be classified and labeled according to its hazard properties including flammability and skin sensitization warnings. The substance is not currently listed as SVHC (Substance of Very High Concern). Workplace exposure limits may apply under occupational health regulations. Companies must maintain safety data sheets and ensure downstream user communication. Biocidal or cosmetic applications may require additional product-specific authorizations under respective EU regulations.

Where to buy 1-methyl-4-prop-1-en-2-ylcyclohexene in Europe?

1-methyl-4-prop-1-en-2-ylcyclohexene is available through OYSI, a trusted European distributor of specialty chemicals serving industrial customers across the continent. OYSI provides reliable supply chains with proper documentation including safety data sheets, certificates of analysis, and regulatory compliance documentation. Professional chemical distributors like OYSI ensure product quality, proper handling, and transportation in accordance with ADR regulations. Contact OYSI directly for availability, technical specifications, and pricing information tailored to your specific application requirements and volume needs.

Data Sources

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