(4S,4aR,8aS)-1-Isopropylidene-4,7-dimethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione

Basic Information

View in Editor

CAS Number

79491-71-7

Molecular Formula

C15H20O2

Molecular Weight

232.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Oil

SMILES

View in Editor

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

InChI

InChI=1S/C15H20O2/c1-8(2)15-12-5-10(4)13(16)7-11(12)9(3)6-14(15)17/h5,9,11-12H,6-7H2,1-4H3/t9-,11+,12+/m0/s1

InChIKey

RDQAKTSDUZUBQC-MVWJERBFSA-N

LogP

3.0832000000000015

Topological Polar Surface Area

34.14 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

436

Synonyms & References

English

79491-71-7
9-Oxo-10,11-dehydroageraphorone
(4S,4aR,8aS)-1,3,4,4a,5,8a-Hexahydro-4,7-dimethyl-1-(1-methylethylidene)-2,6-naphthalenedione; 9-Oxo-10,11-dehydroageraphorone
AKOS032948724
FS-9041
(4aR,8R,8aS)-3,8-dimethyl-5-propan-2-ylidene-4a,7,8,8a-tetrahydro-1H-naphthalene-2,6-dione
Euptox A
4,7(11)-Cadinadiene-3,8-dione7,11-Dehydro-8-oxoageraphorone
(4R,4aS,8aR)-1-Isopropylidene-4,7-dimethyl-1,3,4,4a,5,8a-hexahydr o-2,6-naphthalenedione
4,7(11)-Cadinadiene-3,8-dione
[ "4,7(11)-Cadinadiene-3,8-dione", " 7,11-Dehydro-8-oxoageraphorone", " DTD" ]

MDL Number

MFCD20260866

FAQ

What regulatory guidelines apply to (4S,4aR,8aS)-1-Isopropylidene-4,7-dimethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione (CAS: 79491-71-7)?

This compound is subject to various regulatory guidelines, including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations, and FDA/EPA requirements for chemical classification, hazards communication, and environmental protection. It is essential to comply with local and international regulations for storage, use, and disposal to ensure safety and legal compliance.

Are there alternatives to (4S,4aR,8aS)-1-Isopropylidene-4,7-dimethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione (CAS: 79491-71-7) in synthesis?

Several alternatives can be considered in the synthesis of this compound, including isomers with different stereochemistry or analogs with similar structural features. Common alternative reagents include other naphthalenedione derivatives, such as 1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione or 4,7-dimethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione, which can be used as starting materials or intermediates.

What is the market or research trend for (4S,4aR,8aS)-1-Isopropylidene-4,7-dimethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione (CAS: 79491-71-7)?

The market for this compound is growing due to its applications in pharmaceuticals, agrochemicals, and research. Recent research trends focus on its potential in drug development and as a precursor for synthesizing other compounds. The demand is expected to increase with ongoing advancements in synthetic chemistry and drug discovery.

How should waste containing (4S,4aR,8aS)-1-Isopropylidene-4,7-dimethyl-1,3,4,4a,5,8a-hexahydro-2,6-naphthalenedione (CAS: 79491-71-7) be handled?

Waste containing this compound should be collected in appropriate containers and handled according to local regulations. Professional waste disposal services should be employed to ensure proper incineration or other safe disposal methods that minimize environmental impact. It is crucial to follow safety guidelines and environmental protection precautions to handle and dispose of the waste safely and legally.