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Isobutyl 3-(Methylsulfanyl)Butanoate
[CAS# 127931-21-9]

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Identification
Name Isobutyl 3-(Methylsulfanyl)Butanoate
Synonyms 2-METHYLPROPYL3-(METHYLTHIO)BUTANOATE
Molecular Structure CAS#: 127931-21-9, Isobutyl 3-(Methylsulfanyl)Butanoate
Molecular Formula C9H18O2S
Molecular Weight 190.30
CAS Registry Number 127931-21-9
SMILES O=C(OCC(C)C)CC(C)SC
InChI 1S/C9H18O2S/c1-7(2)6-11-9(10)5-8(3)12-4/h7-8H,5-6H2,1-4H3
InChIKey RRGSLXQIRFOAEM-UHFFFAOYSA-N
Properties
Density 0.974g/cm3 (Cal.)
Boiling point 93-96°C (Expl.)
246.916°C at 760 mmHg (Cal.)
Flash point 99.995°C (Cal.)
Refractive index 1.453-1.469 (Expl.)
1.459 (Cal.)
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