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Isobutyl 3-Phenylpropionate
[CAS# 28048-94-4]

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Identification
Name Isobutyl 3-Phenylpropionate
Synonyms Isobutyl 3-Phenylpropanoate; 3-Phenylpropanoic Acid Isobutyl Ester; 3-Phenylpropionic Acid Isobutyl Ester
Molecular Structure CAS#: 28048-94-4, Isobutyl 3-Phenylpropionate
Molecular Formula C13H18O2
Molecular Weight 206.28
CAS Registry Number 28048-94-4
EINECS 248-798-1
SMILES C1=C(CCC(=O)OCC(C)C)C=CC=C1
InChI 1S/C13H18O2/c1-11(2)10-15-13(14)9-8-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
InChIKey NIKMBMUTZWKICN-UHFFFAOYSA-N
Properties
Density 0.989g/cm3 (Cal.)
Boiling point 276.572°C at 760 mmHg (Cal.)
Flash point 104.396°C (Cal.)
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