Metabolites-BOC Sciences

5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran

5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran - CAS 64165-99-7

Catalog number: BBF-04451

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Catalog Number BBF-04451
CAS 64165-99-7
Description 5-Acetyl-2-(1-hydroxy-1-methylethyl)benzofuran is produced from the inoculation of sliced yacon tubers with Pseudomonas cichorii. It is a phytoalexin.
Molecular Formula C13H14O3
Molecular Weight 218.25
Synonyms Ethanone, 1-[2-(1-hydroxy-1-methylethyl)-5-benzofuranyl]-
IUPAC Name 1-[2-(2-hydroxypropan-2-yl)-1-benzofuran-5-yl]ethanone
Canonical SMILES CC(=O)C1=CC2=C(C=C1)OC(=C2)C(C)(C)O
InChI InChI=1S/C13H14O3/c1-8(14)9-4-5-11-10(6-9)7-12(16-11)13(2,3)15/h4-7,15H,1-3H3
InChI Key JJKBKOOIAOIYSD-UHFFFAOYSA-N
Boiling Point 356.0±27.0°C at 760 mmHg
Melting Point 73°C
Purity 99.0%
Density 1.2±0.1 g/cm3
Solubility Soluble in Ether
Appearance Crystal
Storage Store at 2-8°C
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