Butanoic acid,3-methyl-,octyl ester

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Catalog Number
ACM7786585
Product Name
Butanoic acid,3-methyl-,octyl ester
CAS
7786-58-5
Category
Heterocyclic Organic Compound
Synonyms
Octyl isovalerate, Octyl isopentanoate, Octyl isovalerianate, Octyl 3-methylbutanoate, Octyl 3-methylbutyrate, Isovaleric acid, octyl ester, n-Octyl-3-methyl butyrate, Octyl isovalerate (natural), ENT 30598, W281409_ALDRICH, Butanoic acid, 3-methyl-, octyl ester, FEMA No. 2814, MolPort-003-960-039, NSC21891, EINECS 232-100-7, CID228769, Isovaleric acid, octyl ester (8CI), NSC 21891, AI3-30598, 7786-58-5
IUPAC Name
octyl 3-methylbutanoate
Molecular Weight
214.34
Molecular Formula
C13H26O2
Canonical SMILES
CCCCCCCCOC(=O)CC(C)C
InChI Key
FUBGRVHGQADOJI-UHFFFAOYSA-N
Boiling Point
248.9ºC at 760 mmHg
Flash Point
104.7ºC
Density
0.867g/cm³
EC Number
232-100-7
Exact Mass
214.19300
H-Bond Acceptor
2
H-Bond Donor
0
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