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Cas Database |
| Name |
Vanillyl butyl ether |
EINECS | 209-753-1 |
| CAS No. | 82654-98-6 | Density | 1.048 g/cm3 |
| PSA | 38.69000 | LogP | 2.71750 |
| Solubility | 1.79-1690mg/L at 20℃ | Melting Point |
N/A |
| Formula | C12H18O3 | Boiling Point | 307.9 ºC at 760 mmHg |
| Molecular Weight | 210.273 | Flash Point | 140 ºC |
| Transport Information | N/A | Appearance | Colorless transparent liquid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Hotact VBE;Vanillyl butyl ether; |
Article Data | 5 |
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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