3-Ethoxy-1-propanol
Properties
- Molecular formula
- C5H12O2
- Molar mass
- 104.15 g/mol
- Exact mass
- 104.0837 Da
- Density
- 0.904 g/mL (at 20 °C)
- Melting point
- 160.5 °C
- Boiling point
- 75 °C
- Flash point
- 54.4 °C
- Water solubility
- ≥ 100 g/L (17.8 °C)
- logP
- 0.41Crippen estimate
- Polar surface area
- 29.5 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P317, P337+P317, P370+P378, P403+P235, P501
Identifiers
CAS number
111-35-3SMILES
CCOCCCOInChIKey
XHMWPVBQGARKQM-UHFFFAOYSA-NInChI
InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- 1-Propanol, 3-ethoxy-
- 3-Ethoxypropanol
- NSC 78799
- 3-Ethoxy-2-propyl alcohol
Work with 3-Ethoxy-1-propanol
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
2-Ethoxyethanol110-80-570 % similar
2-(2-Ethoxyethoxy)ethanol111-90-064 % similar
Triethylene glycol monoethyl ether112-50-564 % similar
3-Butoxy-1-propanol10215-33-561 % similar
3-(Hexadecyloxy)propan-1-ol23377-40-456 % similar
Butyl ethyl ether628-81-955 % similar
Ethylene glycol diethyl ether629-14-153 % similar
Diethylene glycol diethyl ether112-36-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.