3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate | CAS No. 78-35-3

3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate

Basic Information

CAS Number

78-35-3

Molecular Formula

C14H24O2

Molecular Weight

224.34 g/mol

AD

Basic Physical Properties

Boiling Point

305.75°C (rough estimate)

Density

1.0013 (rough estimate)

Refractive Index

1.4576 (estimate)

CC(C)C(=O)OC(C)(CCC=C(C)C)C=C

InChI

InChI=1S/C14H24O2/c1-7-14(6,10-8-9-11(2)3)16-13(15)12(4)5/h7,9,12H,1,8,10H2,2-6H3

InChIKey

JZIARAQCPRDGAC-UHFFFAOYSA-N

LogP

3.876700000000003

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

273

Synonyms & References

English

  • Linalyl isobutyrate
  • 3,7-Dimethylocta-1,6-dien-3-yl isobutyrate
  • Isobutyric acid 1,5-dimethyl-1-vinyl-4-hexenyl ester
  • 3,7-dimethylocta-1,6-dien-3-yl 2-methylpropanoate
  • isobutyric acid, 1,5-dimethyl-1-vinyl-4-hexenyl ester

MDL Number

MFCD00048312

Customs Code

2915600000

FAQ

What are the physical and chemical properties of 3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate (CAS: 78-35-3)?

3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate is a colorless liquid with a molecular weight of approximately 210.35 g/mol. It has a specific gravity of 0.904 and a boiling point of 168°C. The compound is slightly soluble in water but miscible with organic solvents. It is reactive towards acids and bases, and may undergo hydrolysis and rearrangement reactions.

How is 3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate (CAS: 78-35-3) typically synthesized?

3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate can be synthesized via a condensation reaction between 3,7-dimethyl-1,6-octadien-3-ol and propanoyl chloride in the presence of a base such as sodium hydroxide. The reaction is typically carried out in an aprotic solvent like dimethylformamide (DMF) and proceeds with good selectivity and yield.

What industries use 3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate (CAS: 78-35-3)?

3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate is used in the pharmaceutical industry as a precursor for the synthesis of certain drugs. It is also utilized in the polymer industry for enhancing the performance of certain polymers and in the sensor industry for its sensing properties. Additionally, it finds applications in the semiconductor industry as a precursor for organic semiconductors.

What precautions should be taken when handling 3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate (CAS: 78-35-3)?

When handling 3,7-Dimethyl-1,6-octadien-3-yl 2-methylpropanoate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Storage should be in a cool, dry place away from incompatible substances. Use a fume hood during operations to minimize inhalation of vapors. In case of spill, avoid direct contact and clean up using appropriate absorbent materials. Refer to the Safety Data Sheet (SDS) for more detailed safety information.

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