CID 24680

Base Information

• Chemical Name: CID 24680
• CAS No.: 8013-90-9
• Molecular Formula: C13H20O
• Molecular Weight: 192.33
• Hs Code.: 2914230000
• European Community (EC) Number: 250-293-6
• DSSTox Substance ID: DTXSID7044477
• Wikidata: Q105282155
• Mol file: 8013-90-9.mol

Synonyms:30685-95-1;(E)-(+-)-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one;DTXSID7044477;FT-0616505;FT-0622164

Chemical Property of CID 24680

Chemical Property:

• Vapor Pressure: 0.0144mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 254.8 °C at 760 mmHg
• Flash Point: 121.3 °C
• PSA: 34.14000
• Density: 0.944 g/cm³
• LogP: 7.17230
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Ionone >98%,StandardReferencesGrade ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R42/43:May cause sensitization by inhalation and skin contact.
• Hazard Codes: R42/43:May cause sensitization by inhalation and skin contact.
• Statements: R42/43:May cause sensitization by inhalation and skin contact.
• Safety Statements: S24/25:

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCCC(C1C=CC(=O)C)(C)C
• Uses: Perfumery, chemical synthesis, flavoring, vitamin A production (β isomer). Ionone for synthesis. CAS 8013-90-9, molar mass 192.3 g/mol.