3-(2-Methyl-3-furylthio)-4-heptanone

Base Information

• Chemical Name: 3-(2-Methyl-3-furylthio)-4-heptanone
• CAS No.: 61295-41-8
• Molecular Formula: C12H18 O2 S
• Molecular Weight: 226.3351
• Hs Code.: 2932190090
• European Community (EC) Number: 262-690-1
• UNII: P0X95DWC8T
• DSSTox Substance ID: DTXSID6047157
• Nikkaji Number: J73.663E
• Wikidata: Q27285973
• Metabolomics Workbench ID: 47647
• Mol file: 61295-41-8.mol

Synonyms:61295-41-8;3-((2-Methylfuran-3-yl)thio)heptan-4-one;3-(2-Methyl-3-furylthio)-4-heptanone;FEMA No. 3570;3-((2-Methyl-3-furyl)thio)-4-heptanone;3-(2-methylfuran-3-yl)sulfanylheptan-4-one;3-((2-Methyl-3-furyl)thio)heptan-4-one;1,3-Diethylacetonyl 3-methyl-3-furyl sulfide;EINECS 262-690-1;4-Heptanone, 3-((2-methyl-3-furanyl)thio)-;UNII-P0X95DWC8T;P0X95DWC8T;4-HEPTANONE, 3-((2-METHYL-3-FURYL)THIO)-;3-[(2-Methyl-3-furanyl)thio]-4-heptanone;DTXSID6047157;3-[(2-methylfuran-3-yl)sulfanyl]heptan-4-one;3-[(2-methyl-3-furyl)thio]heptan-4-one;3-[(2-Methyl-3-furyl)thio]-4-heptanone;3-((2-Methyl-3-furanyl)thio)-4-Heptanone;4-Heptanone, 3-[(2-methyl-3-furanyl)thio]-;SCHEMBL3505807;DTXCID4027157;FEMA 3570;CHEBI:174171;Tox21_302502;MFCD01723735;AKOS015898637;LS-2927;SB61241;NCGC00256853-01;3-(2-methyluran-3-yl)sulanylheptan-4-one;CAS-61295-41-8;CS-0365415;A868750;3-(2-Methyl-3-furylthio)-4-heptanone, AldrichCPR;Q27285973;(+/-)-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE;3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE [FHFI];3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE, (+/-)-

Chemical Property of 3-(2-Methyl-3-furylthio)-4-heptanone

Chemical Property:

• Vapor Pressure: 0.00174mmHg at 25°C
• Refractive Index: 1.5015
• Boiling Point: 293.3°Cat760mmHg
• Flash Point: 131.2°C
• PSA: 55.51000
• Density: 1.05g/cm³
• LogP: 3.82790
• Storage Temp.: 2-8°C
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 226.10275099
• Heavy Atom Count: 15
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

3-((2-Methylfuran-3-yl)thio)heptan-4-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C(CC)SC1=C(OC=C1)C
• Description: 3-((2-Methyl-3-furyl)thio)-4-heptanone has a roast meat odor.