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(6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol(CAS: 68131-40-8)

(6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CAS Number

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Basic Information

Molecular Formula
C21H27D3O2
Molecular Weight
317.49 g/mol
EINECS
614-295-4

Physical Properties

Boiling Point
300℃ at 102.2kPa
Density
1.04 g/mL at 20 °C
Flash Point
249 °C

Chemical Identifiers

SMILES
[2H]C([2H])([2H])CCCCc2cc1OC([C@@H]3CC/C(=C\[C@H]3c1c(O)c2)C)(C)C
InChIKey
CYQFCXCEBYINGO-MVOYJBSWSA-N

Database References

FAQ

The compound is a crystalline solid with a molecular weight of approximately 389.48 g/mol. It has low water solubility and is more soluble in organic solvents like dichloromethane and acetone. Chemically, it is reactive towards bases and oxidizing agents. It undergoes dihydroxylation and aromatization reactions under certain conditions.
This compound is typically synthesized via a condensation reaction of a substituted aromatic ring with a 5,5,5-2H3-pentyl alcohol, followed by ring expansion and further functionalization. Common catalysts include acid catalysts, and the reaction is carried out in an organic solvent. The yield and selectivity depend on the choice of starting materials and reaction conditions.
This compound finds applications in the pharmaceutical industry due to its unique chemical structure. It is also used in the development of sensors and semiconductors for its physicochemical properties. Additionally, it may be used in polymers for specific performance enhancements.
When handling this compound, wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a cool, dry place away from direct sunlight and heat sources. Use a fume hood during preparation and disposal. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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