Ethylene glycol monoallyl ether

C₅H₁₀O₂CAS 111-45-5102.13 g/mol

Open in Covalent MOL file

Alcohol Alkene Ether

Properties

Molecular formula: C₅H₁₀O₂
Molar mass: 102.13 g/mol
Exact mass: 102.0681 Da
Density: 0.958 g/mL (at 20 °C)
Boiling point: 158.5 °C
logP: 0.18Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation99.2% of notifiers
H318 Causes serious eye damage50.4% of notifiers
H319 Causes serious eye irritation49.6% of notifiers
H335 May cause respiratory irritation33.1% of notifiers

Aggregated from 127 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

111-45-5

SMILES

C=CCOCCO

InChIKey

GCYHRYNSUGLLMA-UHFFFAOYSA-N

InChI

InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2

Weigh it out

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

Names and synonyms

19 names · show all

Ethanol, 2-(2-propen-1-yloxy)-
Ethanol, 2-(allyloxy)-
Ethanol, 2-(2-propenyloxy)-
2-(2-Propen-1-yloxy)ethanol
Allyl cellosolve
2-(Allyloxy)ethanol
Ethylene glycol allyl ether
Allyl 2-hydroxyethyl ether
6-Hydroxy-4-oxa-1-hexene
2-(2-Propenyloxy)ethanol
Hydroxyethyl allyl ether
Lioxasol
2-Hydroxyethyl allyl ether
NSC 32614
Allyl monoethoxylate
Allyl alcohol monoethoxylate
Hansa ADD 4035
2-(Prop-2-en-1-yloxy)ethan-1-ol
2-Prop-2-enoxyethanol

Work with Ethylene glycol monoallyl ether

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Polyethylene glycol monoallyl ether27274-31-3

Similar compounds

Allyl ether557-40-455 % similar 3-Propoxy-1-propene1471-03-052 % similar Diethylene glycol111-46-650 % similar Diethylene glycol vinyl ether929-37-348 % 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

Ethyl propionate105-37-3 5-Hydroxy-2-pentanone1071-73-4 Isopropyl acetate108-21-4 Valeric acid109-52-4 Propyl acetate109-60-4 4-Methyl-1,3-dioxane1120-97-4 3-Hydroxy-3-methyl-2-butanone115-22-0 2-Methylbutanoic acid116-53-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook