Vanillyl butyl ether
Properties
- Molecular formula
- C12H18O3
- Molar mass
- 210.27 g/mol
- Exact mass
- 210.1256 Da
- Density
- 1.048–1.068 g/mL
- Boiling point
- 241 °C
- logP
- 2.72Crippen estimate
- Polar surface area
- 38.7 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 6
Hazards
Warning
- H317 May cause an allergic skin reaction79.1% of notifiers
- H319 Causes serious eye irritation42.4% of notifiers
- H412 Harmful to aquatic life with long lasting effects18.6% of notifiers
Aggregated from 177 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, P501
Identifiers
CAS number
82654-98-6SMILES
CCCCOCc1ccc(O)c(OC)c1InChIKey
VLDFMKOUUQYFGF-UHFFFAOYSA-NInChI
InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Phenol, 4-(butoxymethyl)-2-methoxy-
- 4-(Butoxymethyl)-2-methoxyphenol
- Hotact VBE
- Vanillyl alcohol butyl ether
- Sensehot
Work with Vanillyl butyl ether
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Vanillyl ethyl ether13184-86-669 % similar
4-Propylguaiacol2785-87-764 % similar
4-Ethylguaiacol2785-89-959 % similar
Vanillyl alcohol498-00-055 % similar
Paradol27113-22-054 % similar
Dihydroconiferyl alcohol2305-13-753 % similar
Nonivamide2444-46-453 % similar
Homovanillyl alcohol2380-78-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.