3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene | CAS No. 4630-07-3

3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene

Basic Information

CAS Number

4630-07-3

Molecular Formula

C15H24

Molecular Weight

204.36 g/mol

AD

Basic Physical Properties

Boiling Point

274 °C

Refractive Index

n20/D 1.504(lit.)<br />n20/D 1.504-1.510

C=C([C@@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1)C

InChI

InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3

InChIKey

QEBNYNLSCGVZOH-UHFFFAOYSA-N

LogP

4.7252000000000045

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

297

Synonyms & References

English

  • Naphthalene,1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-
  • (+)-Valencene
  • Valencene
  • Valencene, tech
  • (1R,7R,8aS)-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)naphthalene
  • (3R,4aS,5R)-4a,5-Dimethyl-3-isopropenyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
  • (R)-Valencene
  • FEMA 3443
  • VALENCE
  • Valencen
  • VALENCENE 85
  • 4betaH,5alpha-Eremophila-1(10),11-diene
  • NSC 148969

MDL Number

MFCD00075884

FAQ

What are the physical and chemical properties of 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (CAS: 4630-07-3)?

3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene is a colorless or white solid with a molecular weight of approximately 216.35 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, showing limited reactivity towards basic conditions and good stability under acidic conditions. It crystallizes in the monoclinic system and has a melting point of around 55-57°C.

How is 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (CAS: 4630-07-3) typically synthesized?

3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene is synthesized through a reaction of 3-isopropenyl-1,2,3,4-tetrahydronaphthalene with dimethyl sulfate using a phase transfer catalyst. The reaction involves the introduction of methyl groups at the 4a and 5 positions, resulting in high selectivity and yield. The process typically requires mild heating and is conducted under anhydrous conditions to prevent side reactions.

What industries use 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (CAS: 4630-07-3)?

3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene has applications in the pharmaceutical industry, where it is used as a precursor in the synthesis of certain drugs. It is also utilized in the polymer industry for the development of functionalized polymers and in the sensor technology sector for the fabrication of gas sensors. Additionally, it finds use in the semiconductor industry for specific applications requiring organic compounds with specific structural properties.

What precautions should be taken when handling 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene (CAS: 4630-07-3)?

When handling 3-Isopropenyl-4a,5-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene, it is important to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a laboratory coat. Work should be carried out in a well-ventilated fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly decontaminated. Refer to the safety data sheet (SDS) for further detailed safety information and emergency procedures.

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