7-methylocta-1,6-diene

C9H16

CAS42152-47-6
GHS02 Gefahrensymbol: Entzündbar – Flamme
GHS09 Gefahrensymbol: Umweltgefährlich – Umwelt
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Identification

CAS Number
42152-47-6
EC Number
404-210-7
UN Number
3295
Index Number
601-046-00-X
PubChem CID
557579

Physical-chemical properties

Molecular Formula
C9H16
Molar Mass
124.22 g/mol
IUPAC Name
7-methylocta-1,6-diene

Chemical Identifiers

InChI
InChI=1S/C9H16/c1-4-5-6-7-8-9(2)3/h4,8H,1,5-7H2,2-3H3
InChI Key
UCKITPBQPGXDHV-UHFFFAOYSA-N

Overview

7-methylocta-1,6-diene (CAS 42152-47-6) is an unsaturated hydrocarbon featuring two carbon-carbon double bonds and a methyl branch substituent. This specialized chemical compound belongs to the family of conjugated dienes, characterized by its unique molecular structure containing nine carbon atoms arranged in an octane chain with strategic double bond positioning. The presence of both terminal and internal alkene functionalities, combined with the methyl substitution at the seventh position, provides distinct reactivity patterns that make this compound valuable for various industrial synthesis applications. From a safety perspective, 7-methylocta-1,6-diene is classified as a Category 3 flammable liquid, requiring appropriate fire prevention measures during handling and storage. The compound also presents environmental concerns, being classified under Aquatic Acute Category 1 and Aquatic Chronic Category 1, indicating potential toxicity to aquatic organisms. This classification necessitates careful containment protocols to prevent environmental release, similar to handling requirements for other organic solvents like bromobenzene and chlorobenzene. The compound's dual alkene functionality makes it particularly useful in polymer synthesis applications, where it can serve as a monomer or cross-linking agent. Additionally, its structure lends itself well to pharmaceutical intermediate synthesis, where selective functionalization of the different double bond positions enables complex molecule construction. The fragrance and flavor industry also utilizes such specialized dienes for creating unique aromatic profiles through controlled chemical transformations. OYSI maintains reliable supply chains for 7-methylocta-1,6-diene, ensuring consistent availability for industrial customers requiring this specialized chemical building block for their manufacturing processes.

Safety & Classification

Warning
Classification:

Flam. Liq. 3; Aquatic Acute 1; Aquatic Chronic 1

HHazard Statements (H-Statements)

Describe the nature and severity of the hazard

H226

Flammable liquid and vapour.

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

Transport (ADR)

UN Number3295
ADR Class3
Packing GroupIII
Tunnel CodeD/E
Proper Shipping Name7-Methylocta-1,6-dien
Marine PollutantNo

Frequently Asked Questions

What is 7-methylocta-1,6-diene?

7-methylocta-1,6-diene is an organic compound with the molecular formula C9H16 and CAS number 42152-47-6. This chemical belongs to the family of alkenes, characterized by having two double bonds in its eight-carbon chain structure with a methyl branch at the seventh position. With a molecular weight of 124.22 g/mol, it is classified as a flammable liquid and poses environmental hazards to aquatic life.

What are the physicochemical properties of 7-methylocta-1,6-diene?

7-methylocta-1,6-diene is a liquid hydrocarbon at room temperature with the molecular formula C9H16. As an alkene compound, it contains two carbon-carbon double bonds making it reactive toward addition reactions. The presence of the methyl branch affects its physical properties compared to linear octadienes. Like most hydrocarbons, it is likely to have low water solubility and would be soluble in organic solvents.

What is 7-methylocta-1,6-diene used for?

7-methylocta-1,6-diene serves as an intermediate in organic synthesis and chemical manufacturing processes. Its dual alkene functionality makes it valuable for polymer production, cross-linking reactions, and as a building block for more complex organic molecules. It may be used in the production of specialty chemicals, fragrances, or as a reactive diluent in various industrial applications requiring controlled reactivity.

How to handle 7-methylocta-1,6-diene safely?

7-methylocta-1,6-diene requires careful handling as a flammable liquid with environmental hazards. Always wear appropriate personal protective equipment including safety glasses, chemical-resistant gloves, and flame-resistant clothing. Work in well-ventilated areas away from ignition sources, heat, and sparks. Use grounding and bonding procedures when transferring the material. Avoid release to environment due to its aquatic toxicity classification.

How to store 7-methylocta-1,6-diene correctly?

7-methylocta-1,6-diene must be stored in a cool, dry, well-ventilated area away from heat sources, ignition sources, and direct sunlight. Use appropriate containers resistant to hydrocarbons and ensure proper grounding of storage vessels. Keep away from oxidizing agents and strong acids. Storage areas should be equipped with fire suppression systems and spill containment measures to prevent environmental release.

What to do in case of contact with 7-methylocta-1,6-diene?

In case of skin contact with 7-methylocta-1,6-diene, immediately remove contaminated clothing and wash the affected area thoroughly with soap and water. For eye contact, rinse immediately with plenty of clean water for at least 15 minutes. 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 complete emergency procedures.

How to dispose of 7-methylocta-1,6-diene appropriately?

7-methylocta-1,6-diene must be disposed of according to local, national, and international environmental regulations due to its flammable nature and aquatic toxicity. Never discharge to waterways or soil. Contact licensed waste disposal contractors for proper treatment, which may include incineration at authorized facilities. Empty containers should be handled as hazardous waste. Always consult current waste classification codes and disposal guidelines.

How to transport 7-methylocta-1,6-diene?

7-methylocta-1,6-diene is classified under ADR Class 3 (Flammable Liquids), Packing Group III for transportation. It requires appropriate UN specification packaging and proper shipping documentation. Vehicles must comply with ADR requirements for flammable liquids including proper placarding, equipment, and driver certification. Ensure packages are properly labeled with GHS02 and GHS09 pictograms and the "Warning" signal word.

Is 7-methylocta-1,6-diene subject to specific regulations?

7-methylocta-1,6-diene is subject to various chemical regulations including REACH registration requirements in Europe and CLP classification as Flam. Liq. 3, Aquatic Acute 1, and Aquatic Chronic 1. It is not currently listed as a Substance of Very High Concern (SVHC). Users must comply with workplace safety regulations, environmental protection laws, and transportation requirements. Always check current regulatory status before use.

Where to buy 7-methylocta-1,6-diene in Europe?

7-methylocta-1,6-diene is available through OYSI, a leading European distributor of specialty chemicals. OYSI provides reliable supply chains across Europe with proper documentation, safety data sheets, and regulatory compliance support. As a professional chemical distributor, OYSI ensures quality products meeting industry standards and can assist with technical support and regulatory guidance for your specific applications.

Data Sources

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