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2-Benzylhexanoic Acid
[CAS# 225917-33-9]

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CAS#: 225917-33-9
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Identification
Name 2-Benzylhexanoic Acid
Molecular Structure CAS#: 225917-33-9, 2-Benzylhexanoic Acid
Molecular Formula C13H18O2
Molecular Weight 206.28
CAS Registry Number 225917-33-9
SMILES OC(=O)C(CCCC)Cc1ccccc1
InChI 1S/C13H18O2/c1-2-3-9-12(13(14)15)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,14,15)
InChIKey NQQBWCDFWBAYBJ-UHFFFAOYSA-N
Properties
Density 1.033g/cm3 (Cal.)
Boiling point 325.956°C at 760 mmHg (Cal.)
Flash point 222.996°C (Cal.)
Refractive index 1.517 (Cal.)
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