1,3-Diethoxybenzene
Properties
- Molecular formula
- C10H14O2
- Molar mass
- 166.22 g/mol
- Exact mass
- 166.0994 Da
- Melting point
- 12.4 °C
- Boiling point
- 235 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
2049-73-2SMILES
CCOc1cccc(OCC)c1InChIKey
MKGFYMKFBCWNCP-UHFFFAOYSA-NInChI
InChI=1S/C10H14O2/c1-3-11-9-6-5-7-10(8-9)12-4-2/h5-8H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzene, 1,3-diethoxy-
- Benzene, m-diethoxy-
- Resorcinol diethyl ether
- m-Diethoxybenzene
- NSC 4888
- 2,4-Diethoxybenzene
Work with 1,3-Diethoxybenzene
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
1-Ethoxy-3-fluorobenzene458-03-772 % similar
3-Ethoxy thiophenol86704-82-772 % similar
1-Bromo-3-ethoxybenzene2655-84-769 % similar
3-Ethoxybenzenamine621-33-069 % similar
3-Ethoxyphenol621-34-169 % similar
Ethyl phenyl ether103-73-168 % similar
3-Ethoxybenzaldehyde22924-15-862 % similar
3-Ethoxybenzonitrile25117-75-362 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.