1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one

Basic Information

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CAS Number

57378-68-4

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

Boiling Point

263.6°Cat760mmHg

Density

0.89

Flash Point

103.7°C

Refractive Index

n20/D 1.490-1.500

SMILES

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CC=CC(=O)C1C(C=CCC1(C)C)C

InChI

InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8,10,12H,9H2,1-4H3/b7-5+

InChIKey

XEJGJTYRUWUFFD-FNORWQNLSA-N

LogP

4.200

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

271

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

8-Damascone
7F4RIE5P7E
DELTA-DAMASCONE [INCI]
Delta Damascone
SCHEMBL237109
AKOS005380919
(E)-1-(2beta,6,6-Trimethyl-3-cyclohexen-1alpha-yl)-2-butene-1-one
2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, (2E)-
(2E)-1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one #
(E)-1-((1RS,2SR)-2,6,6-trimethylcyclohex-3-enyl)but-2-en-1-one
CHEMBL4514620
trans-delta-damascone
d-damascone
FEMA No. 3622
.DELTA.-DAMASCONE [FHFI]
NS00010006
(1alpha(E),2beta)-1-(2,6,6-Trimethylcyclohex-3-en-1-yl)but-2-en-1-one
2-BUTEN-1-ONE, 1-(2,6,6-TRIMETHYL-3-CYCLOHEXEN-1-YL)-
delta-Damascone, analytical standard
.delta.-Damascone
delta-Damascone
FEMA 3622
2-Buten-1-one, 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-, (1alpha(E),2beta)-
Q27268183
(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
57378-68-4
DAMASCONE, .DELTA.-
DELTA-DAMASCONE [USP-RS]
41436-42-4
Delta-Damascone, United States Pharmacopeia (USP) Reference Standard
(E)-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)-but-2-en-1-one

MDL Number

MFCD00489848

FAQ

What regulatory guidelines apply to 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4)?

1-(2,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4) is regulated under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the EU, and the Toxic Substances Control Act (TSCA) in the US. Specific handling and storage guidelines must comply with local and international regulations to ensure safety and environmental protection.

Are there alternatives to 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4) in synthesis?

There are several alternatives to 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4) in synthesis, including related ketones and alkenes. Common alternatives include 3-cyclohexen-1-one and methylcyclohexene. These alternatives can provide similar functionalities and may offer better reactivity or cost-effectiveness in specific synthetic routes.

What is the market or research trend for 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4)?

The market for 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4) is driven by its use in fragrance and flavor industries. Research trends focus on its potential in pharmaceuticals and cosmetics. The demand is expected to grow as more applications are discovered, particularly in areas requiring unique chemical properties.

How should waste containing 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4) be handled?

Waste containing 1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-2-buten-1-one (CAS: 57378-68-4) should be managed in accordance with local waste disposal regulations. Collection should be done in sealed containers to prevent spillage. For disposal, incineration or professional waste disposal services may be necessary. Ensure proper labeling and follow all safety protocols to avoid environmental contamination.