3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate | CAS No. 10482-79-8

3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate

Basic Information

CAS Number

10482-79-8

Molecular Formula

C19H26O2

Molecular Weight

286.41 g/mol

AD

Basic Physical Properties

Boiling Point

401 ºC

Flash Point

219 ºC

CC(CCC=C(C)C)CCOC(=O)C=CC1=CC=CC=C1

InChI

InChI=1S/C19H26O2/c1-16(2)8-7-9-17(3)14-15-21-19(20)13-12-18-10-5-4-6-11-18/h4-6,8,10-13,17H,7,9,14-15H2,1-3H3

InChIKey

KMXKQELDKDGFRN-UHFFFAOYSA-N

LogP

5.0156000000000045

Topological Polar Surface Area

26.3 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

345

Synonyms & References

English

  • EINECS 233-989-4
  • LMFA07010815
  • SCHEMBL3504902
  • CHEBI:196588
  • 10482-79-8
  • 3,7-dimethyloct-6-enyl (E)-3-phenylprop-2-enoate
  • 3,7-Dimethyloct-6-en-1-yl cinnamate
  • 3,7-Dimethyl-6-octen-1-yl cinnamate
  • 3,7-dimethyloct-6-en-1-yl (2E)-3-phenylprop-2-enoate
  • Citronellyl cinnamate
  • 2-Propenoic acid, 3-phenyl-, 3,7-dimethyl-6-octenyl ester
  • CHEMBL2271264
  • 3,7-dimethyloct-6-enyl cinnamate
  • 2-Propenoic acid,3-phenyl-, 3,7-dimethyl-6-octen-1-yl ester
  • CITRONELLYL CINNAMATE
  • 3-Phenyl-2-propenoic acid 3,7-dimethyl-6-octenyl ester
  • 3-Phenyl-2-propenoic acid 3,7-dimethyl-6-octen-1-yl ester
  • 3,7-Dimethyl-6-octen-1-ol cinnamate
  • KMXKQELDKDGFRN-UHFFFAOYSA-N
  • 3 7-DIMETHYL-6-OCTEN-1-YL CINNAMATE
  • Cinnamic acid 3,7-dimethyl-6-octenyl ester
  • 3-Phenylpropenoic acid 3,7-dimethyl-6-octenyl ester
  • 2-propenoicacid,3-phenyl-,3,7-dimethyl-6-octenylester

FAQ

What are the physical and chemical properties of 3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8)?

3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8) is a colorless liquid with a fruity, floral odor. It has a molecular weight of approximately 260.32 g/mol and a boiling point of around 245°C. The compound is soluble in organic solvents like ethanol and acetone but is less soluble in water. It is relatively stable in air but can undergo thermal degradation. Reactivity is minimal under normal conditions but caution is advised in high-temperature applications.

How is 3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8) typically synthesized?

3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate can be synthesized through a Grignard reaction followed by acylation. The process involves the reaction of a Grignard reagent with 3-phenylacrylic acid, followed by addition of a methyl acrylate derivative using a suitable transition metal catalyst to achieve high selectivity and yield. The reaction is typically carried out in an inert solvent like tetrahydrofuran under anhydrous conditions.

What industries use 3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8)?

3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8) is primarily used in the fragrance and flavor industry due to its pleasant aroma. It also finds applications in the cosmetic industry as a fragrance ingredient. Additionally, it can be used in the pharmaceutical industry as a synthetic intermediate and in polymer science for flavoring agents and plasticizers.

What precautions should be taken when handling 3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8)?

When handling 3,7-Dimethyl-6-octen-1-yl 3-phenylacrylate (CAS: 10482-79-8), appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. Storage should be in a cool, dry place, away from heat sources and direct sunlight. Fume hoods should be used during preparation and handling to minimize inhalation risks. In case of spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.

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