3-(Methylthio)propyl isovalerate

Base Information

• Chemical Name: 3-(Methylthio)propyl isovalerate
• CAS No.: 84559-98-8
• Molecular Formula: C9H18 O2 S
• Molecular Weight: 190.30302
• European Community (EC) Number: 283-185-2
• DSSTox Substance ID: DTXSID20233550
• Nikkaji Number: J333.468F
• Wikidata: Q83115116
• Mol file: 84559-98-8.mol

Synonyms:3-(Methylthio)propyl isovalerate;84559-98-8;3-methylsulfanylpropyl 3-methylbutanoate;EINECS 283-185-2;DTXSID20233550;XOTYBNFHVHYKJB-UHFFFAOYSA-N;3-(Methylthio)propyl 3-methylbutanoate;3-Methylbutyric acid 3-(methylthio)propyl ester

Chemical Property of 3-(Methylthio)propyl isovalerate

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Boiling Point: 256.9°C at 760 mmHg
• Flash Point: 106.8°C
• PSA: 51.60000
• Density: 0.976g/cm³
• LogP: 2.32880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 190.10275099
• Heavy Atom Count: 12
• Complexity: 124

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=O)OCCCSC