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Home >> Chemical Listing >> Page 872 >> Benzyl 3-Thioxobutanoate

Benzyl 3-Thioxobutanoate
[CAS# 20632-90-0]

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CAS#: 20632-90-0
Product: Benzyl 3-Thioxobutanoate
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Identification
Name Benzyl 3-Thioxobutanoate
Synonyms Acetoacetic acid, 3-thio-, benzyl ester; Benzyl 3-thioxobutanoate #
Molecular Structure CAS#: 20632-90-0, Benzyl 3-Thioxobutanoate
Molecular Formula C11H12O2S
Molecular Weight 208.28
CAS Registry Number 20632-90-0
SMILES S=C(C)CC(=O)OCc1ccccc1
InChI 1S/C11H12O2S/c1-9(14)7-11(12)13-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChIKey KTXRRIFYWDVRQC-UHFFFAOYSA-N
Properties
Density 1.156g/cm3 (Cal.)
Boiling point 310.282°C at 760 mmHg (Cal.)
Flash point 141.454°C (Cal.)
Refractive index 1.566 (Cal.)
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