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 characteristic flammable and skin-sensitizing properties. This organic compound, with the molecular formula C10H16 and a molecular weight of 136.23 g/mol, belongs to the terpene family and features a cyclohexene ring structure with methyl and propenyl substituents. Also identified by EC number 205-341-0, this substance exhibits typical aromatic hydrocarbon characteristics while maintaining distinct reactivity patterns due to its unsaturated cyclic structure. The compound presents several important safety considerations that require careful handling protocols. Classified as a Category 3 flammable liquid under GHS regulations, it carries a "Warning" signal word and displays GHS02 (flame), GHS07 (exclamation mark), and GHS09 (environment) pictograms. The substance can cause skin irritation and acts as a skin sensitizer, potentially leading to allergic reactions upon contact. Additionally, it poses significant environmental hazards, being classified as acutely and chronically toxic to aquatic life. Transportation regulations classify it under ADR Class 3, requiring appropriate packaging and documentation for safe transport. In industrial applications, 1-methyl-4-prop-1-en-2-ylcyclohexene serves primarily as a chemical intermediate in organic synthesis and as a component in specialty formulations. Its structural similarity to other aromatic compounds like 1,3,5-trimethylbenzene makes it valuable in applications requiring specific molecular configurations. The compound also finds use in research and development activities where its unique cyclohexene framework provides desired reactivity patterns. OYSI maintains reliable supply chains for this technical-grade chemical compound, ensuring consistent availability for European industrial customers requiring high-quality terpene derivatives for their specialized applications.

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 cyclic monoterpene hydrocarbon with the molecular formula C10H16 and CAS number 138-86-3. This organic compound features a cyclohexene ring structure with methyl and propenyl substituents. With a molecular weight of 136.23 g/mol, it belongs to the terpene family and is commonly found in essential oils and natural products, particularly those derived from citrus and coniferous plants.

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

1-methyl-4-prop-1-en-2-ylcyclohexene is typically a colorless to pale yellow liquid at room temperature with a characteristic fresh, citrusy odor. As a hydrocarbon terpene, it has low water solubility but is readily soluble in organic solvents such as ethanol, acetone, and hydrocarbons. The compound has a density lower than water and exhibits volatile properties due to its terpene nature, contributing to its distinctive aroma profile.

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

1-methyl-4-prop-1-en-2-ylcyclohexene is primarily used in the fragrance and flavor industry as an aromatic compound. It serves as an intermediate in organic synthesis for producing various terpene derivatives and essential oil components. The compound finds applications in cosmetics, perfumes, and food flavoring formulations. Additionally, it may be used as a starting material for chemical modifications to create specialized fragrances or as a solvent in specific industrial processes.

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

1-methyl-4-prop-1-en-2-ylcyclohexene requires careful handling due to its flammable nature and potential for skin irritation and sensitization. Always wear appropriate personal protective equipment including chemical-resistant gloves, safety goggles, and protective clothing. Ensure adequate ventilation to prevent vapor accumulation and avoid direct skin contact. Keep away from ignition sources, heat, and sparks. Use grounded equipment when transferring the substance and have fire extinguishing equipment readily available.

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 tightly sealed containers made of compatible materials and keep away from oxidizing agents. Storage areas must comply with flammable liquid regulations and be equipped with appropriate fire suppression systems. Maintain storage temperature below 25°C when possible and ensure containers are properly labeled with hazard information.

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 15 minutes and seek medical attention. If inhaled, move to fresh air and seek medical advice if respiratory irritation occurs. In case of ingestion, do not induce vomiting and seek immediate medical attention.

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

1-methyl-4-prop-1-en-2-ylcyclohexene must be disposed of according to local and national hazardous waste regulations. The substance should not be discharged into sewers, water bodies, or soil due to its aquatic toxicity classification. Contact licensed hazardous waste disposal companies for proper treatment and disposal. Small quantities may be incinerated at approved facilities with adequate emission controls. Always consult local environmental authorities for specific disposal requirements and approved waste management facilities.

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

1-methyl-4-prop-1-en-2-ylcyclohexene is classified as ADR Class 3 (flammable liquid), Packing Group III for transportation purposes. It must be packaged in UN-approved containers with appropriate labeling including flammable liquid placards. Vehicles must comply with ADR regulations for flammable substances, including proper ventilation and fire safety equipment. Transportation documents must include the proper shipping name, hazard class, and emergency response information. Only trained and certified drivers should handle the transport.

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

1-methyl-4-prop-1-en-2-ylcyclohexene is subject to REACH regulation requiring registration for manufacturing or importing quantities above one tonne per year. Under CLP regulation, it must be classified and labeled according to its hazard properties including flammability, skin irritation, sensitization, and aquatic toxicity. The substance is not currently listed as an SVHC (Substance of Very High Concern). Companies must comply with occupational safety regulations and environmental protection requirements when handling this chemical.

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 and industrial raw materials. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As an established chemical distributor, OYSI ensures quality products meeting European standards and can assist with technical support, logistics, and regulatory requirements for your specific applications and volume needs.

Data Sources

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