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Butyl 3-Thioxobutanoate
[CAS# 18457-88-0]

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Identification
Name Butyl 3-Thioxobutanoate
Synonyms Acetoacetic acid, 3-thio-, butyl ester; Butyl 3-thioxobutanoate #
Molecular Structure CAS#: 18457-88-0, Butyl 3-Thioxobutanoate
Molecular Formula C8H14O2S
Molecular Weight 174.26
CAS Registry Number 18457-88-0
SMILES O=C(OCCCC)CC(=S)C
InChI 1S/C8H14O2S/c1-3-4-5-10-8(9)6-7(2)11/h3-6H2,1-2H3
InChIKey PLBFRICFUGZZIG-UHFFFAOYSA-N
Properties
Density 1.031g/cm3 (Cal.)
Boiling point 232.516°C at 760 mmHg (Cal.)
Flash point 94.423°C (Cal.)
Refractive index 1.482 (Cal.)
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