3-Hydroxy-1-(2,4,4-trimethylcyclohex-2-en-1-yl)butan-1-one

Base Information

• Chemical Name: 3-Hydroxy-1-(2,4,4-trimethylcyclohex-2-en-1-yl)butan-1-one
• CAS No.: 90122-41-1
• Molecular Formula: C13H22O2
• Molecular Weight: 210.31300
• DSSTox Substance ID: DTXSID70603567

Synonyms:90122-41-1;3-Hydroxy-1-(2,4,4-trimethylcyclohex-2-en-1-yl)butan-1-one;SCHEMBL10727816;DTXSID70603567

Chemical Property of 3-Hydroxy-1-(2,4,4-trimethylcyclohex-2-en-1-yl)butan-1-one

Chemical Property:

• Boiling Point: 306.9±35.0 °C(Predicted)
• PSA: 37.30000
• Density: 0.963±0.06 g/cm3(Predicted)
• LogP: 2.70890
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 276

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(CCC1C(=O)CC(C)O)(C)C

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