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(2S,4S,5R,6S,7S,8S,9S,12R)-4,5-Diacetoxy-2,12-dihydroxy-8-(isobutyryloxy)-6-[(isobutyryloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl benzoate(CAS: 139979-81-0)

(2S,4S,5R,6S,7S,8S,9S,12R)-4,5-Diacetoxy-2,12-dihydroxy-8-(isobutyryloxy)-6-[(isobutyryloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl benzoate
CAS Number

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Other Suppliers for (2S,4S,5R,6S,7S,8S,9S,12R)-4,5-Diacetoxy-2,12-dihydroxy-8-(isobutyryloxy)-6-[(isobutyryloxy)methyl]-2,10,10-trimethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl benzoate

Basic Information

Molecular Formula
C34H46O13
Molecular Weight
662.73 g/mol

Physical Properties

Melting Point
198-200 °C
Boiling Point
694.9±55.0 °C(Predicted)
Density
1.30±0.1 g/cm3(Predicted)
Flash Point
208.8°C

Chemical Identifiers

SMILES
CC(C)C(=O)OCC12C(C(CC(C13C(C(C(C2OC(=O)C4=CC=CC=C4)OC(=O)C(C)C)C(O3)(C)C)O)(C)O)OC(=O)C)OC(=O)C
InChIKey
HAHJPPZGVANYSD-CHDNDZPOSA-N

Database References

FAQ

This compound must comply with the GHS classification for hazardous substances, REACH regulations in the EU, and FDA and EPA guidelines in the United States. Specific regulatory requirements include reporting under REACH, ensuring proper labeling, and adhering to safe handling, storage, and disposal practices as outlined by these regulatory bodies.
Alternative reagents such as isopropylbenzoates, terpenes, and other acylated benzoates can serve as potential alternatives in synthesis. Isomers and analogs like 2-phenylethyl esters and substituted cyclohexyl benzoates may also be considered, depending on the specific application and desired properties.
Research trends indicate increasing interest in this compound for its potential in pharmaceuticals and agrochemicals due to its unique structural features. Market trends show growing demand, particularly in developing countries where novel compounds are sought for drug discovery and pest control. Emerging applications in biotechnology and cosmetics are also being explored.
Waste containing this compound should be collected in appropriate containers, labeled with the correct hazardous waste symbol, and stored in a secure, well-ventilated area until it can be disposed of by a licensed waste management company. Incineration or professional waste disposal methods are recommended to ensure compliance with environmental regulations and safe disposal of the compound.

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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