1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-

Base Information

• Chemical Name: 1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-
• CAS No.: 99422-01-2
• Molecular Formula: C14H22 O3 S
• Molecular Weight: 270.42
• DSSTox Substance ID: DTXSID40869335
• Nikkaji Number: J1.584.737I
• Mol file: 99422-01-2.mol

Synonyms:99422-01-2;1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-;RE-45550;5-((2-Ethylthio)propyl)-2-(1-oxopropyl)-1,3-cyclohexanedione;1,3-Cyclohexanedione, 5-(2-(ethylthio)propyl)-2-(1-oxopropyl)-;SCHEMBL9688357;DTXSID40869335;LS-56812;2-Propionyl-5-[2-(ethylthio)propyl]-1,3-cyclohexanedione

Chemical Property of 1,3-Cyclohexanedione, 5-[2-(ethylthio)propyl]-2-(1-oxopropyl)-

Chemical Property:

• Vapor Pressure: 2.24E-07mmHg at 25°C
• Refractive Index: 1.5050 (estimate)
• Boiling Point: 423.4°Cat760mmHg
• Flash Point: 180°C
• PSA: 76.51000
• Density: 1.087g/cm³
• LogP: 2.66160
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 270.12896573
• Heavy Atom Count: 18
• Complexity: 320

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C1C(=O)CC(CC1=O)CC(C)SCC