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Isobutyl acetoacetate

ALDRICH/00483 - ≥98.0% (GC)

CAS Number: 7779-75-1
Empirical Formula (Hill Notation): C8H14O3
Molecular Weight: 158.19
EC Number: 231-937-5
MDL Number: MFCD00059349
Linear Formula: CH3COCH2COOCH2CH(CH3)3
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-00483-100ML 100 mL
 $66.30
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assay ≥98.0% (GC)
bp 100 °C/22 mmHg (lit.)
density 0.98 g/mL at 25 °C (lit.)
form liquid
functional group ester
  ketone
InChI 1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
InChI key ZYXNLVMBIHVDRH-UHFFFAOYSA-N
Quality Level 100 
refractive index n20/D 1.424
  n20/D 1.424 (lit.)
SMILES string CC(C)COC(=O)CC(C)=O
Disclaimer: may discolor to yellow on storage
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) 172.4 °F - closed cup
Flash Point(C) 78 °C - closed cup
Purity ≥98.0% (GC)
bp 100 °C/22 mmHg (lit.)
Density 0.98 g/mL at 25 °C (lit.)
Refractive Index n20/D 1.424 (lit.); n20/D 1.424
UNSPSC 12352100

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