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82654-98-6

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Basic Information
CAS No.: 82654-98-6
Name: Vanillyl butyl ether
Article Data: 5
Cas Database
Molecular Structure:
Molecular Structure of 82654-98-6 (Vanillyl butyl ether)
Formula: C12H18O3
Molecular Weight: 210.273
Synonyms: Hotact VBE;Vanillyl butyl ether;
EINECS: 209-753-1
Density: 1.048 g/cm3
Boiling Point: 307.9 ºC at 760 mmHg
Flash Point: 140 ºC
Solubility: 1.79-1690mg/L at 20℃
Appearance: Colorless transparent liquid
PSA: 38.69000
LogP: 2.71750
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    Product name: Vanillyl Butyl Ether CAS No.：82654-98-6 Molecule Formula：C12H18O3 Molecule Weight：210.27 Purity: 98.0% Package: 25kg/drum Description：Colorless to pale yellow clear liquid Manufacture Standards：Enterprise Standard T

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Chemistry

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

Safety Profile

WGK Germany: 3

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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