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n-Hexyl phenylacetate
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n-Hexyl phenylacetate

CAS 5421-17-0
Synonyms 2-Phenylacetic acid hexyl ester
IUPAC Name Hexyl 2-phenylacetate
Molecular Weight 220.31
Canonical SMILES CCCCCCOC(=O)CC1=CC=CC=C1
InChI InChI=1S/C14H20O2/c1-2-3-4-8-11-16-14(15)12-13-9-6-5-7-10-13/h5-7,9-10H,2-4,8,11-12H2,1H3
InChI Key MTAHGWGAEGVCLS-UHFFFAOYSA-N
Boiling Point 264-265 °C
Flash Point >230 °F
Purity 95%+
Density 0.97 g/mL at 25 °C(lit.)
Solubility Insoluble in water; soluble in oils; soluble in fats
Exact Mass 220.146329876
Monoisotopic Mass 220.146329876
Odor Sweet-green, fruity-winey odor
Physical State Oily liquid
Refractive Index n20/D 1.485(lit.)
Topological Polar Surface Area 26.3 Ų

For Research Use Only. Not for use in diagnostic or therapeutic procedures.