Heptyl butyrate

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Catalog Number
ACM5870939
Product Name
Heptyl butyrate
Structure
Structure
CAS
5870-93-9
Category
Heterocyclic Organic Compound
Synonyms
Butanoic acid, heptyl ester
IUPAC Name
Heptyl butanoate
Molecular Weight
186.29
Molecular Formula
C11H22O2
Canonical SMILES
CCCCCCCOC(=O)CCC
InChI
InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3
InChI Key
JPQHLIYIQARLQM-UHFFFAOYSA-N
Boiling Point
225-226 °C
Melting Point
-58 °C
Flash Point
195 °F
Density
0.864 g/mL at 25 °C(lit.)
Solubility
Soluble in alcohol, propylene glycol; insoluble in water
Exact Mass
186.16197994
Monoisotopic Mass
186.16197994
Odor
Camomile odor
Physical State
Liquid
Refractive Index
n20/D 1.4215(lit.)
Topological Polar Surface Area
26.3 Ų
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