2445-77-4

Name 2-Methylbutyl isovalerate
CAS 2445-77-4
EINECS(EC#) 219-496-7
Molecular Formula C10H20O2
MDL Number MFCD00209537
Molecular Weight 172.26
MOL File 2445-77-4.mol

Chemical Properties

Appearance Colorless liquid; herbaceous, fruity odor.Sol in alc, fixed oils; insol in water.
Melting point  -68.47°C (estimate)
Boiling point  191-195 °C(lit.)
density  0.858 g/mL at 25 °C(lit.)
FEMA  3506 | 2-METHYLBUTYL 3-METHYLBUTANOATE
refractive index  n20/D 1.414(lit.)
Fp  143 °F
solubility  Insoluble in water, soluble in alcohol and oils.
color  Colorless liquid.
Odor at 100.00 %. herbal fruity earthy cheese apple green
biological source synthetic
Odor Type fruity
JECFA Number 204
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C10H20O2/c1-5-9(4)7-12-10(11)6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey CYGPPWVXOWCHJB-UHFFFAOYSA-N
SMILES CCC(C)COC(=O)CC(C)C
LogP 3.53
Uses
Food additive.
CAS DataBase Reference 2445-77-4
NIST Chemistry Reference Butanoic acid, 3-methyl-, 2-methylbutyl ester(2445-77-4)
EPA Substance Registry System Butanoic acid, 3-methyl-, 2-methylbutyl ester(2445-77-4)

Safety Data

WGK Germany  3
TSCA  TSCA listed
Storage Class 10 - Combustible liquids

Hazard Information

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