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3-Methylbutyl 3-Methylbenzoate
[CAS# 6640-76-2]

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Identification
Name 3-Methylbutyl 3-Methylbenzoate
Synonyms Isopentyl 3-Methylbenzoate; 3-Methylbenzoic Acid Isopentyl Ester; 3-Methylbenzoic Acid Isoamyl Ester
Molecular Structure CAS#: 6640-76-2, 3-Methylbutyl 3-Methylbenzoate
Molecular Formula C13H18O2
Molecular Weight 206.28
CAS Registry Number 6640-76-2
SMILES C1=CC=C(C)C=C1C(OCCC(C)C)=O
InChI 1S/C13H18O2/c1-10(2)7-8-15-13(14)12-6-4-5-11(3)9-12/h4-6,9-10H,7-8H2,1-3H3
InChIKey LWJZTQRODMEFPX-UHFFFAOYSA-N
Properties
Density 0.982g/cm3 (Cal.)
Boiling point 282.983°C at 760 mmHg (Cal.)
Flash point 125.359°C (Cal.)
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