5454-28-4

Name BUTYL HEPTANOATE
CAS 5454-28-4
EINECS(EC#) 226-707-6
Molecular Formula C11H22O2
MDL Number MFCD00048898
Molecular Weight 186.29
MOL File 5454-28-4.mol
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Chemical Properties

Melting point  −67.5 °C(lit.)
Boiling point  226 °C(lit.)
density  0.863 g/mL at 25 °C(lit.)
FEMA  2199 | BUTYL HEPTANOATE
refractive index  n20/D 1.421(lit.)
Fp  188 °F
Odor at 100.00 %. green fruity licorice grassy oily winey starfruit pear tropical
Odor Type green
JECFA Number 169
Major Application pharmaceutical (small molecule)
InChI 1S/C11H22O2/c1-3-5-7-8-9-11(12)13-10-6-4-2/h3-10H2,1-2H3
InChIKey YPQSPODHFDGVAC-UHFFFAOYSA-N
SMILES CCCCCCC(=O)OCCCC
LogP 4.30
Uses
Butyl Heptanoate is a synthetic flavoring agent that is a stable, colorless liquid of fruity odor. it is stored in glass or tin containers. it is used in flavors such as apple, blackberry, and ginger beer with applications in candy and baked goods at 25 ppm.
CAS DataBase Reference 5454-28-4
EPA Substance Registry System Butyl heptanoate (5454-28-4)

Safety Data

Hazard Codes  Xi
Risk Statements 
Safety Statements 
WGK Germany  3
TSCA  TSCA listed
HS Code  2915900000
Storage Class 10 - Combustible liquids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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