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Methyl 2-ethylhexanoate
[CAS# 86290-91-7]

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CAS#: 86290-91-7
Product: Methyl 2-ethylhexanoate
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Identification
Name Methyl 2-ethylhexanoate
Synonyms Methyl ester of 2-ethylhexanoic acid; Methyl-2-Butyl-Butyrate; AI3-33653
Molecular Structure CAS#: 86290-91-7, Methyl 2-ethylhexanoate
Molecular Formula C9H18O2
Molecular Weight 158.24
CAS Registry Number 86290-91-7
SMILES CCCCC(CC)C(=O)OC
InChI 1S/C9H18O2/c1-4-6-7-8(5-2)9(10)11-3/h8H,4-7H2,1-3H3
InChIKey KICUISADAVMYCJ-UHFFFAOYSA-N
Properties
Density 0.9±0.1g/cm3 (Cal.)
Boiling point 176.5±8.0°C at 760 mmHg (Cal.)
Flash point 59.4±8.3°C (Cal.)
References
(1) Fien Van Lancker, An Adams, Barbara Delmulle, Sarah De Saeger, Antonio Moretti, Carlos Van Peteghem and Norbert De Kimpe. Use of headspace SPME-GC-MS for the analysis of the volatiles produced by indoor molds grown on different substrates, J. Environ. Monit., 2008, 10, 1127.
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