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1,3-Benzodioxol-5-Ylmethyl Isovalerate
[CAS# 84604-42-2]

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CAS#: 84604-42-2
Product: 1,3-Benzodioxol-5-Ylmethyl Isovalerate
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Identification
Name 1,3-Benzodioxol-5-Ylmethyl Isovalerate
Synonyms 3-Methylbutanoic Acid 1,3-Benzodioxol-5-Ylmethyl Ester; 3-Methylbutyric Acid 1,3-Benzodioxol-5-Ylmethyl Ester; Nsc44520
Molecular Structure CAS#: 84604-42-2, 1,3-Benzodioxol-5-Ylmethyl Isovalerate
Molecular Formula C13H16O4
Molecular Weight 236.27
CAS Registry Number 84604-42-2
EINECS 283-322-6
SMILES C1=C2C(=CC=C1COC(=O)CC(C)C)OCO2
InChI 1S/C13H16O4/c1-9(2)5-13(14)15-7-10-3-4-11-12(6-10)17-8-16-11/h3-4,6,9H,5,7-8H2,1-2H3
InChIKey HETOAXKLYRCONC-UHFFFAOYSA-N
Properties
Density 1.162g/cm3 (Cal.)
Boiling point 316.074°C at 760 mmHg (Cal.)
Flash point 136.447°C (Cal.)
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