Benzyl isopentyl ether
Properties
- Molecular formula
- C12H18O
- Molar mass
- 178.28 g/mol
- Exact mass
- 178.1358 Da
- Density
- 0.9082 g/mL (at 20 °C)
- Boiling point
- 237 °C
- logP
- 3.25Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 5
Hazards
Warning
- H315 Causes skin irritation21.9% of notifiers
- H319 Causes serious eye irritation21.9% of notifiers
Aggregated from 114 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364
Identifiers
CAS number
122-73-6SMILES
CC(C)CCOCc1ccccc1InChIKey
RXXCIBALSKQCAE-UHFFFAOYSA-NInChI
InChI=1S/C12H18O/c1-11(2)8-9-13-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzene, [(3-methylbutoxy)methyl]-
- Ether, benzyl isopentyl
- [(3-Methylbutoxy)methyl]benzene
- Benzyl isoamyl ether
- Isoamyl benzyl ether
- NSC 9294
Work with Benzyl isopentyl 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
Isopentylbenzene2049-94-757 % similar
Dibenzyl ether103-50-454 % similar
Benzyl butyl ether588-67-053 % similar
Benzyl 2-bromoethyl ether1462-37-952 % similar
Benzyl 2-chloroethyl ether17229-17-352 % similar
2-(Benzyloxy)ethanamine38336-04-852 % similar
2-(Benzyloxy) ethanol622-08-252 % similar
Isoamyl phenylacetate102-19-251 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds