Triethyl orthobenzoate
Properties
- Molecular formula
- C13H20O3
- Molar mass
- 224.30 g/mol
- Exact mass
- 224.1412 Da
- Density
- 1.0325 g/mL (at 25 °C)
- Boiling point
- 240 °C
- logP
- 2.91Crippen estimate
- Polar surface area
- 27.7 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 7
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1663-61-2SMILES
CCOC(OCC)(OCC)c1ccccc1InChIKey
BQFPCTXLBRVFJL-UHFFFAOYSA-NInChI
InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzene, (triethoxymethyl)-
- Orthobenzoic acid, triethyl ester
- (Triethoxymethyl)benzene
- Ethyl orthobenzoate
- Triethoxyphenylmethane
Work with Triethyl orthobenzoate
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
Trimethyl orthobenzoate707-07-350 % similar
Ethyl phenyl ether103-73-144 % similar
2,2-Diphenyloxirane882-59-744 % similar
Ethyl 2-phenylisobutyrate2901-13-543 % similar
(Alpha,alpha-difluoro)phenylacetic acid ethyl ester2248-46-642 % similar
Ethyl benzilate52182-15-742 % similar
Ethyl α,α-dichlorobenzeneacetate5317-66-842 % similar
1,3-Diethyl 2-ethyl-2-phenylpropanedioate76-67-542 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.