4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one

Basic Information

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CAS Number

14901-07-6

Molecular Formula

C13H20O

Molecular Weight

192.3 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

Melting Point

-49°C

Boiling Point

126-128 °C/12 mmHg

Refractive Index

n20/D 1.52(lit.)

SMILES

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CC(=O)C=CC1=C(C)CCCC1(C)C

InChI

InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3

InChIKey

PSQYTAPXSHCGMF-UHFFFAOYSA-N

LogP

3.6582000000000026

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

292

Safety Information

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GHS Hazard Pictograms

H315

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

Synonyms & References

English

Irisone
beta-Ionone
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one
IONONE, BETA-(SG)
β-Ionone
β-Jonone
OIL
B-IONONE
á-ionone
B-lonone
FEMA 2595
SS-IONONE
IONONE, B-
beta-Ionene
BETA-JONONE
IRISONE

MDL Number

MFCD00001549

FAQ

What is 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6)?

4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6) is an organic compound characterized by a conjugated ketone group and a substituted cyclohexenyl ring. It has the chemical formula C14H22O and is known for its aromatic properties and potential applications in various chemical industries. The compound is commonly used as an intermediate in the synthesis of pharmaceuticals and fine chemicals.

What are the main uses of 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6)?

4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6) is primarily used in the pharmaceutical industry as a building block for synthesizing drugs and bioactive compounds. It also finds applications in research for organic synthesis and in the fragrance industry due to its aromatic characteristics. Additionally, it serves as an intermediate in the production of certain polymers and specialty chemicals.

Is 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6) safe?

4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6) is generally considered safe when handled properly. However, it should be used with caution as it may cause skin and eye irritation. Safety standards recommend wearing protective gloves, goggles, and ensuring proper ventilation. It is classified as a potential irritant and should be stored and used in accordance with standard chemical safety protocols.

How should 4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6) be stored?

4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one (CAS: 14901-07-6) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a tightly sealed container away from light and moisture. The recommended storage temperature is between 0°C and 25°C, and it should be kept in a well-ventilated area to prevent potential evaporation or exposure risks.