1-(Cedr-8-en-9-yl)ethanone

Basic Information

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CAS Number

32388-55-9

Molecular Formula

C17H26O

Molecular Weight

246.39 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

Boiling Point

272 ºC

Flash Point

>110 ºC

Refractive Index

1.516

Specific Rotation

-30 º (neat)

SMILES

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CC(C1=C(C)[C@@]2([H])C(C)(C)[C@]3([H])CC[C@@H](C)[C@@]3(C2)C1)=O

InChI

InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1

InChIKey

YBUIAJZFOGJGLJ-SWRJLBSHSA-N

LogP

4.374200000000004

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

1-((3R,3aR,7R,8aS)-3,6,8,8-Tetramethyl-2,3,4,7,8,8a-hexahydro-1H-3a,7-methanoazulen-5-yl)ethanone
Methyl cedryl ketone
1-cedr-8-en-9-ylethanone
Acetyl cedrene
9-acetylcedrene
cedar ketone
DSSTox_CID_9353
Lixetone
Murexide
Vertofix
Vertofix Coeur

MDL Number

MFCD03410252

FAQ

What are the physical and chemical properties of 1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9)?

1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9) is a colorless to light yellow liquid with a molecular weight of approximately 185.26 g/mol. It is slightly soluble in water but miscible with most organic solvents. This compound is reactive towards nucleophiles and can undergo rearrangement reactions under certain conditions. It is also prone to hydrolysis in the presence of water and acid.

How is 1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9) typically synthesized?

1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9) can be synthesized through a Wittig reaction, where an ethyl vinyl ether reacts with a 9-oxo-8-undecenyl methyl phosphonate in the presence of a strong base like n-butyllithium. The reaction typically yields a high selectivity for the desired product with a good overall yield.

What industries use 1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9)?

1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9) is mainly used in the pharmaceutical industry for the synthesis of certain drug intermediates. It is also utilized in the formulation of certain cosmetic products and as a reagent in analytical chemistry for its reactivity towards nucleophiles. Additionally, it is explored for its potential applications in environmental sensing and as a precursor for organic semiconductors.

What precautions should be taken when handling 1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9)?

When handling 1-(Cedr-8-en-9-yl)ethanone (CAS: 32388-55-9), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood to prevent inhalation. Spills should be contained and handled according to the manufacturer's safety data sheet (SDS). Proper storage should be in a cool, dry place, away from oxidizers and flammable materials. Always refer to the current SDS for detailed safety instructions.