3-Acetoxy-4-cadinen-8-one

Basic Information

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CAS Number

923950-05-4

Molecular Formula

C17H26O3

Molecular Weight

278.39 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Cryst.

Solubility

N/A

SMILES

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CC1CC(=O)C(C2C1CC(C(=C2)C)OC(=O)C)C(C)C

InChI

InChI=1S/C17H26O3/c1-9(2)17-14-6-11(4)16(20-12(5)18)8-13(14)10(3)7-15(17)19/h6,9-10,13-14,16-17H,7-8H2,1-5H3

InChIKey

BJLBGEPDNAWIIP-UHFFFAOYSA-N

LogP

3.3816000000000024

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

436

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

3-Acetoxy-4-cadinen-8-one
(1R,4S,4aR,6R,8aS)-6-(Acetyloxy)-3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-2(1H)-naphthalenone (ACI)
2-Deoxo-2-(acetyloxy)-9-oxoageraphorone
AKOS032961706
[(2S,4aR,5S,8R,8aS)-3,8-dimethyl-6-oxo-5-propan-2-yl-2,4a,5,7,8,8a-hexahydro-1H-naphthalen-2-yl] acetate
923950-05-4
FS-9156

MDL Number

MFCD20260928

FAQ

What are the physical and chemical properties of 3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4)?

3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4) is a crystalline solid with a molecular weight of approximately 268.36 g/mol. It has a low solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound exhibits moderate reactivity, particularly towards nucleophilic substitution reactions. It is stable under normal storage conditions but should be kept away from strong bases and reducing agents to avoid unintended side reactions.

How is 3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4) typically synthesized?

3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4) is typically synthesized through a multi-step process involving the hydrolysis of a corresponding acetoxy ketone followed by a cyclization reaction. The synthesis often uses catalytic amounts of acid or base, and the reaction is optimized for high yield and selectivity. Commonly, the compound is isolated by crystallization from an appropriate solvent.

What industries use 3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4)?

3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4) is used in various industries, particularly in pharmaceuticals, where it serves as a precursor for the synthesis of other compounds. It is also utilized in the production of polymers and as a component in sensors. Additionally, it finds application in the development of certain electronic materials and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4)?

When handling 3-Acetoxy-4-cadinen-8-one (CAS: 923950-05-4), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area, preferably within a fume hood, to avoid inhaling potentially harmful vapors. Spills should be cleaned up carefully, following the safety data sheet (SDS) guidelines, and the compound should be stored in a cool, dry place, away from any strong acids or bases to prevent unwanted reactions.