Product Name

  • Name

    Vanillyl butyl ether

  • EINECS 209-753-1
  • CAS No. 82654-98-6
  • Article Data5
  • CAS DataBase
  • Density 1.048 g/cm3
  • Solubility 1.79-1690mg/L at 20℃
  • Melting Point
  • Formula C12H18O3
  • Boiling Point 307.9 ºC at 760 mmHg
  • Molecular Weight 210.273
  • Flash Point 140 ºC
  • Transport Information
  • Appearance Colorless transparent liquid
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 82654-98-6 (Vanillyl butyl ether)
  • Hazard Symbols
  • Synonyms Hotact VBE;Vanillyl butyl ether;
  • PSA 38.69000
  • LogP 2.71750

Vanillyl butyl ether Chemical Properties

Molecular Structure of Phenol,4-(butoxymethyl)-2-methoxy- (CAS No. 82654-98-6):

IUPAC Name: 4-(Butoxymethyl)-2-methoxyphenol  
Molecular Formula: C12H18O3
Molecular Weight: 210.27
CAS Registry Number: 82654-98-6
FEMA: 3796
Refractive Index: n20/D 1.516(lit.)
Index of Refraction: 1.51
Molar Refractivity: 60 cm3
Molar Volume: 200.5 cm3
Surface Tension: 36.9 dyne/cm
Density: 1.048 g/cm3
Flash Point: 140 °C
Enthalpy of Vaporization: 57.04 kJ/mol
Boiling Point: 307.9 °C at 760 mmHg
Vapour Pressure: 0.000388 mmHg at 25°C
Product Categories: API intermediates; Alphabetical Listings; Flavors and Fragrances; Q-Z
Structure Descriptors of Phenol,4-(butoxymethyl)-2-methoxy- (CAS No. 82654-98-6):
SMILES: Oc1ccc(cc1OC)COCCCC
InChI: InChI=1/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-UHFFFAOYAN
Std. InChI: 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
Std. InChIKey: VLDFMKOUUQYFGF-UHFFFAOYSA-N

Vanillyl butyl ether Safety Profile

WGK Germany: 3

Vanillyl butyl ether Specification

  Phenol,4-(butoxymethyl)-2-methoxy- with cas registry number of 82654-98-6 is also called 4-(Butoxymethyl)-2-methoxyphenol ; Butyl vanillyl ether ; FEMA No. 3796 ; Vanillyl butyl ether .

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