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Vanillin isobutyrate Structure

Vanillin isobutyrate

Chemical Properties

Melting point 27.0 to 31.0 °C
Boiling point 312.9±27.0 °C(Predicted)
Density  1.12 g/mL at 25 °C (lit.)
vapor pressure  0.017Pa at 20℃
FEMA  3754 | VANILLIN ISOBUTYRATE
refractive index  n20/D 1.524(lit.)
Flash point >230 °F
storage temp.  2-8°C, stored under nitrogen
solubility  soluble in Methanol
form  powder to crystal
color  White to Almost white
Odor at 100.00 %. sweet vanilla creamy fruity caramel chocolate
Odor Type vanilla
biological source synthetic
Water Solubility  573mg/L at 20℃
λmax 311nm(1-Butanol)(lit.)
JECFA Number 891
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3
InChIKey BGKAKRUFBSTALK-UHFFFAOYSA-N
SMILES COc1cc(C=O)ccc1OC(=O)C(C)C
LogP 2
CAS DataBase Reference 20665-85-4(CAS DataBase Reference)
EPA Substance Registry System Vanillin isobutyrate (20665-85-4)

Safety Information

WGK Germany  3
TSCA  TSCA listed
HS Code  2915.60.1000
Storage Class 10 - Combustible liquids

MSDS

Usage And Synthesis

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