3-Chloro-5,5-dimethyl-2-cyclohexen-1-one

Basic Information

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CAS Number

17530-69-7

Molecular Formula

C8H11ClO

Molecular Weight

158.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Physical Properties

Boiling Point

44-46°C 0,1mm

Flash Point

44-46°C/0.1mm

SMILES

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CC1(CC(=CC(=O)C1)Cl)C

InChI

InChI=1S/C8H11ClO/c1-8(2)4-6(9)3-7(10)5-8/h3H,4-5H2,1-2H3

InChIKey

PJYTYJGMJDIKEJ-UHFFFAOYSA-N

LogP

2.4982000000000006

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

191

Synonyms & References

English

DTXSID20169966
5,5-Dimethyl-3-chlorocyclohex-2-enone
3-chloro-5,5-dimethyl-cyclohex-2-enone
3-CHLORO-5,5-DIMETHYLCYCLOHEX-2-ENE-1-ONE
A812073
MFCD00051620
FT-0615435
AS-65628
Q27276953
CS-0010862
2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl-
D72490
3-chloro-5,5-dimethylcyclohex-2-en-1-one
3-Chloro-5,5-dimethylcyclohex-2-enone
UNII-E73W928G5O
AKOS002675787
3-Chloro-5,5-dimethyl-2-cyclohexen-1-one, AldrichCPR
3-Chloro-5,5-dimethyl-2-cyclohexen-1-one
5,5-Dimethyl-3-chloro-2-cyclohexen-1-one
SCHEMBL1515964
17530-69-7
E73W928G5O
3-Chloro-5,5-dimethyl-2-cyclohexenone
3 -chloro-5,5-dimethyl-2-cyclohexene-1-one
2-Cyclohexen-1-one,3-chloro-5,5-dimethyl-
3-chloro-5,5-dimethylcyclohexen-3-one
5,5-dimethyl-3-chloro-2-cyclohexenone
3-Chloro-5,5-dimethy1-2-cyclohexen-1-one
NISTC17530697
LABOTEST-BB LT01147600

MDL Number

MFCD00051620

Customs Code

2914700090

FAQ

What regulatory guidelines apply to 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7)?

3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7) falls under various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical, and its storage, handling, and disposal must comply with these regulations. Ensure to consult the latest regulatory documents for specific guidelines applicable in your region.

Are there alternatives to 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7) in synthesis?

While 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7) is a useful compound, there are alternatives such as isomers and analogs. Common alternatives include 3-bromo-5,5-dimethyl-2-cyclohexen-1-one and other chlorinated derivatives. These can be used based on the specific requirements of the synthesis process, often providing similar functionality with varying reactivity.

What is the market or research trend for 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7)?

The market for 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7) is steadily growing due to its applications in pharmaceuticals, fragrances, and as a precursor in organic synthesis. Research trends focus on its use in developing new drugs and fragrances. The trend indicates an increasing demand, driven by its versatility and effectiveness in these industries.

How should waste containing 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7) be handled?

Waste containing 3-Chloro-5,5-dimethyl-2-cyclohexen-1-one (CAS: 17530-69-7) should be handled according to hazardous waste management guidelines. Collect the waste in appropriate containers, seal them, and label them accordingly. Incineration or professional waste disposal services are recommended, ensuring compliance with local environmental regulations. Always follow safety protocols to minimize exposure and environmental impact.