2-(2-Propyn-1-yloxy)ethanol

C₅H₈O₂CAS 3973-18-0100.12 g/mol

Open in Covalent MOL file

Alcohol Alkyne Ether

Properties

Molecular formula: C₅H₈O₂
Molar mass: 100.12 g/mol
Exact mass: 100.0524 Da
Density: 1.0251 g/mL (at 20 °C)
Boiling point: 80–90 °C (at NaN Torr)
logP: -0.37Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed81% of notifiers
H318 Causes serious eye damage64.4% of notifiers
H319 Causes serious eye irritation29.4% of notifiers
H330 Fatal if inhaled64.4% of notifiers
H332 Harmful if inhaled13.5% of notifiers
H335 May cause respiratory irritation65.6% of notifiers
H361f Suspected of damaging fertility64.4% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure64.4% of notifiers

Aggregated from 163 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P320, P330, P337+P317, P403+P233, P405, P501

Identifiers

CAS number

3973-18-0

SMILES

C#CCOCCO

InChIKey

GHGCQQRMJCSIBQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8O2/c1-2-4-7-5-3-6/h1,6H,3-5H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names

Ethanol, 2-(2-propyn-1-yloxy)-
Ethanol, 2-(2-propynyloxy)-
Ethylene glycol monopropargyl ether
4-Oxa-1-hexyn-6-ol
2-(2-Propynyloxy)ethanol
2-Propynoxyethanol
2-(Propargyloxy)ethanol
3-(2-Hydroxyethoxy)-1-propyne
2-(Prop-2-yn-1-yloxy)ethan-1-ol
2-Prop-2-ynoxyethanol
Ethanol, 2-(ethynyloxy)-

Work with 2-(2-Propyn-1-yloxy)ethanol

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Bis-propargyl-peg131351373-50-662 % similar 1,4-Bis(2-hydroxyethoxy)-2-butyne1606-85-559 % similar Diethylene glycol111-46-650 % similar 2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine944561-44-848 % similar Triethylene glycol112-27-648 % similar Tetraethylene glycol112-60-748 % similar Hexaethylene glycol2615-15-848 % similar 3,6,9,12,15,18,21,24-Octaoxahexacosane-1,26-diol3386-18-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 3-(Hydroxymethyl)cyclobutan-1-one183616-18-4

Elsewhere

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