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3-Methyl-Pentanal
[CAS# 15877-57-3]

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Identification
Name 3-Methyl-Pentanal
Synonyms 3-Methylvaleraldehyde; Nsc102764; Pentanal, 3-Methyl-
Molecular Structure CAS#: 15877-57-3, 3-Methyl-Pentanal
Molecular Formula C6H12O
Molecular Weight 100.16
CAS Registry Number 15877-57-3
EINECS 240-014-6
SMILES C(C(CC)C)C=O
InChI 1S/C6H12O/c1-3-6(2)4-5-7/h5-6H,3-4H2,1-2H3
InChIKey YJWJGLQYQJGEEP-UHFFFAOYSA-N
Properties
Density 0.8g/cm3 (Cal.)
Boiling point 122.999°C at 760 mmHg (Cal.)
Flash point 17.751°C (Cal.)
References
(1) Arno Behr, Sebastian Reyer and Nils Tenhumberg. Selective hydroformylation-hydrogenation tandem reaction of isoprene to 3-methylpentanal, Dalton Trans., 2011, 40, 11742.
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