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Piperonyl Isobutyrate
[CAS 5461-08-5]

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Identification
Classification Chemical reagent >> Organic reagent >> Ester >> Other ester compounds
Name Piperonyl Isobutyrate
Synonyms 2-Methylpropanoic Acid 1,3-Benzodioxol-5-Ylmethyl Ester; 2-Methylpropionic Acid 1,3-Benzodioxol-5-Ylmethyl Ester; 1,3-Benzodioxol-5-Ylmethyl Isobutyrate
Molecular Formula C12H14O4
Molecular Weight 222.24
CAS Registry Number 5461-08-5
EINECS 226-745-3
FEMA 2913
SMILES C1=C(COC(C(C)C)=O)C=CC2=C1OCO2
InChI 1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3
InChIKey RQULTIASPCVEFO-UHFFFAOYSA-N
Properties
Density 1.154 (Expl.)
1.2±0.1g/cm3 (Cal.)
Boiling point 378.61°C at 760 mmHg (Cal.)
91-92°C (Expl.)
Flash point 110°C (Expl.)
129.3±19.3°C (Cal.)
Refractive index 1.512 (Expl.)
Safety Data
Safety Description CAUTION: May irritate eyes, skin, and respiratory tract
SDS Available
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