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Isopentyl p-Anisate
[CAS# 27739-29-3]

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CAS#: 27739-29-3
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Identification
Name Isopentyl p-Anisate
Synonyms Isopentyl 4-Methoxybenzoate; 4-Methoxybenzoic Acid Isopentyl Ester; 4-Methoxybenzoic Acid Isoamyl Ester
Molecular Structure CAS#: 27739-29-3, Isopentyl p-Anisate
Molecular Formula C13H18O3
Molecular Weight 222.28
CAS Registry Number 27739-29-3
EINECS 248-633-3
SMILES C1=C(C(=O)OCCC(C)C)C=CC(=C1)OC
InChI 1S/C13H18O3/c1-10(2)8-9-16-13(14)11-4-6-12(15-3)7-5-11/h4-7,10H,8-9H2,1-3H3
InChIKey FVMBSMBXEVMMGH-UHFFFAOYSA-N
Properties
Density 1.021g/cm3 (Cal.)
Boiling point 310.245°C at 760 mmHg (Cal.)
Flash point 126.731°C (Cal.)
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