2-((1-Methylethoxy)methyl)oxirane
Properties
- Molecular formula
- C6H12O2
- Molar mass
- 116.16 g/mol
- Exact mass
- 116.0837 Da
- Density
- 0.9186 g/mL (at 20 °C)
- Boiling point
- 137 °C
- Flash point
- 33 °C (closed cup)
- Water solubility
- 188 g/L
- logP
- 0.81Crippen estimate
- Polar surface area
- 21.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H317 May cause an allergic skin reaction95.1% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H335 May cause respiratory irritation92.7% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
4016-14-2SMILES
CC(C)OCC1CO1InChIKey
NWLUZGJDEZBBRH-UHFFFAOYSA-NInChI
InChI=1S/C6H12O2/c1-5(2)7-3-6-4-8-6/h5-6H,3-4H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
20 names · show all
- 2-[(1-Methylethoxy)methyl]oxirane
- Oxirane, 2-[(1-methylethoxy)methyl]-
- Propane, 1,2-epoxy-3-isopropoxy-
- Oxirane, [(1-methylethoxy)methyl]-
- Glycidyl isopropyl ether
- 3-Isopropoxy-1,2-epoxypropane
- (Isopropoxymethyl)oxirane
- Isopropyl glycidyl ether
- 3-Isopropyloxypropylene oxide
- 1,2-Epoxy-3-isopropoxypropane
- 2,3-Epoxypropyl isopropyl ether
- (±)-Glycidyl isopropyl ether
- (Isopropyloxymethyl)oxirane
- [(1-Methylethoxy)methyl]oxirane
- NSC 4127
- NSC 46562
- 2-(Isopropoxymethyl)oxirane
- 3-(Isopropoxy)propylene epoxide
- 2-[(Propan-2-yloxy)methyl]oxirane
- 2-(Propan-2-yloxymethyl)oxirane
Work with 2-((1-Methylethoxy)methyl)oxirane
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
Triglycidylglycerol13236-02-750 % similar
Diglycidyl ether2238-07-550 % similar
(S)-(+)-Glycidyl methyl ether64491-68-550 % similar
(2R)-2-(Methoxymethyl)oxirane64491-70-950 % similar
1,2-Epoxybutane106-88-745 % similar
Glycol diglycidyl ether2224-15-945 % similar
(2S)-2-Ethyloxirane30608-62-945 % similar
(2R)-2-Ethyloxirane3760-95-045 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.