Ethoxyacetylene
Properties
- Molecular formula
- C4H6O
- Molar mass
- 70.09 g/mol
- Exact mass
- 70.0419 Da
- Density
- 0.7874 g/mL (at 25 °C)
- Boiling point
- 50 °C
- logP
- 0.61Crippen estimate
- Polar surface area
- 9.2 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H304 May be fatal if swallowed and enters airways89.1% of notifiers
- H315 Causes skin irritation13% of notifiers
- H336 May cause drowsiness or dizziness87% of notifiers
- H361 Suspected of damaging fertility or the unborn child97.8% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure97.8% of notifiers
- H411 Toxic to aquatic life with long lasting effects13% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
927-80-0SMILES
C#COCCInChIKey
WMYNMYVRWWCRPS-UHFFFAOYSA-NInChI
InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Ethyne, ethoxy-
- Ether, ethyl ethynyl
- Ethyl ethynyl ether
- Ethoxyethyne
- 1-Ethoxyethyne
- Ethynyl ethyl ether
Reactions
Work with Ethoxyacetylene
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-1-butyne14272-91-439 % similar
3,3-Diethoxy-1-propyne10160-87-938 % similar
4-Ethoxyphenylacetylene79887-14-234 % similar
Diethyl ether60-29-733 % similar
Ethyl propiolate623-47-233 % similar
Ethyl propiolate823-47-233 % similar
1,4-Diethoxybenzene122-95-230 % similar
Diethoxymethane462-95-330 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.