3,7-Dimethyl-1,6-octadiene

Basic Information

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CAS Number

2436-90-0

Molecular Formula

C10H18

Molecular Weight

138.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-69.6°C (estimate)

Boiling Point

154-155 °C

Flash Point

38 °C

Refractive Index

n20/D 1.437

SMILES

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CC(CCC=C(C)C)C=C

InChI

InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3

InChIKey

FUDNBFMOXDUIIE-UHFFFAOYSA-N

LogP

3.5549000000000026

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

116

Synonyms & References

English

3,7-Dimethylocta-1,6-diene
3,7-Dimethyl-1,6-octadiene
CITRONELLENE, (+)-B-(AS)
DIHYDROMYRCENE
1,6-Octadiene,3,7-dimethyl
2,6-dimethylocta-2,7-diene
3,7-dimethoxyocta-1,6-diene
Citronellene
DSSTox_CID_9234
EINECS 219-433-3

MDL Number

MFCD00137459

Customs Code

2901299090

FAQ

What regulatory guidelines apply to 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0)?

3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0) is classified under GHS as a flammable liquid. It is subject to REACH regulations in the European Union, which require manufacturers and importers to register substances if they are manufactured or imported at quantities above 1 tonne annually. Additionally, the FDA and EPA have specific labeling and reporting requirements for this compound, especially when used in pharmaceutical and industrial applications.

Are there alternatives to 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0) in synthesis?

There are several alternatives to 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0) in synthesis, such as 1,6-octadiene or other alkene isomers. These alternatives can offer similar reactivity in certain reactions but may differ in physical properties and cost. Common reagents like diethylmalonate or maleic anhydride can also be used as substitutes in some synthetic pathways.

What is the market or research trend for 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0)?

The market for 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0) is primarily driven by its application in the production of fragrances, plasticizers, and lubricants. Research trends are focusing on its use in polymer science and the development of sustainable production methods. Recent studies have also explored its potential in renewable energy applications, such as in the synthesis of biofuels and bioplastics.

How should waste containing 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0) be handled?

Waste containing 3,7-Dimethyl-1,6-octadiene (CAS: 2436-90-0) should be collected in appropriate containers and disposed of according to local hazardous waste regulations. It is advisable to incinerate the waste in a controlled environment or use a professional waste disposal service. Environmental protection measures should include proper ventilation and the use of personal protective equipment (PPE) during handling to prevent inhalation or skin contact. Safe storage and transportation are also crucial to avoid any accidental releases.