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2-Methylbutyl octanoate
[CAS# 67121-39-5]

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CAS#: 67121-39-5
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Identification
Name 2-Methylbutyl octanoate
Synonyms 2-Methylbutyl octanoate #
Molecular Structure CAS#: 67121-39-5, 2-Methylbutyl octanoate
Molecular Formula C13H26O2
Molecular Weight 214.34
CAS Registry Number 67121-39-5
SMILES O=C(OCC(CC)C)CCCCCCC
InChI 1S/C13H26O2/c1-4-6-7-8-9-10-13(14)15-11-12(3)5-2/h12H,4-11H2,1-3H3
InChIKey XZLBJDGPIWDVIJ-UHFFFAOYSA-N
Properties
Density 0.868g/cm3 (Cal.)
Boiling point 248.915°C at 760 mmHg (Cal.)
Flash point 104.688°C (Cal.)
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