82654-98-6

Name Vanillyl butyl ether
CAS 82654-98-6
EINECS(EC#) 209-753-1
Molecular Formula C12H18O3
MDL Number MFCD00238529
Molecular Weight 210.27
MOL File 82654-98-6.mol

Chemical Properties

Boiling point  241 °C(lit.)
density  1.057 g/mL at 25 °C(lit.)
vapor pressure  0.42-2000Pa at 20-25℃
FEMA  3796
refractive index  n20/D 1.516(lit.)
Fp  >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  soluble (Insoluble in water. Soluble in organic solvents, oils.)
form  Oil
color  Colourless
Specific Gravity 1.057
Odor at 100.00 %. vanilla fruity
biological source synthetic
Odor Type vanilla
Water Solubility  1.79-1690mg/L at 20℃
JECFA Number 888
Major Application flavors and fragrances
Cosmetics Ingredients Functions FRAGRANCE
SKIN CONDITIONING
ORAL CARE
HAIR CONDITIONING
InChI 1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKey VLDFMKOUUQYFGF-UHFFFAOYSA-N
SMILES CCCCOCC1=CC(OC)=C(O)C=C1
LogP 2.2-2.4 at 23-25℃
EPA Substance Registry System Phenol, 4-(butoxymethyl)-2-methoxy- (82654-98-6)

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H319-H317
Precautionary statements  P501-P261-P272-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P333+P313
WGK Germany  3
TSCA  TSCA listed
HS Code  2909.50.4050
REACH Registrations Active
Storage Class 10 - Combustible liquids

Hazard Information

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