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3-Benzyl-7-Methyl-Octanoic Acid
[CAS# 93156-64-0]

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CAS#: 93156-64-0
Product: 3-Benzyl-7-Methyl-Octanoic Acid
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Identification
Name 3-Benzyl-7-Methyl-Octanoic Acid
Synonyms 3-(Benzyl)-7-Methyl-Caprylic Acid; 4-09-00-01973 (Beilstein Handbook Reference); Brn 3295593
Molecular Structure CAS#: 93156-64-0, 3-Benzyl-7-Methyl-Octanoic Acid
Molecular Formula C16H24O2
Molecular Weight 248.36
CAS Registry Number 93156-64-0
SMILES C1=C(CC(CC(=O)O)CCCC(C)C)C=CC=C1
InChI 1S/C16H24O2/c1-13(2)7-6-10-15(12-16(17)18)11-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3,(H,17,18)
InChIKey FJFYUNDWOMHNIM-UHFFFAOYSA-N
Properties
Density 0.995g/cm3 (Cal.)
Boiling point 367.585°C at 760 mmHg (Cal.)
Flash point 264.492°C (Cal.)
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