2-((1,1-Dimethylethoxy)methyl)oxirane
Properties
- Molecular formula
- C7H14O2
- Molar mass
- 130.19 g/mol
- Exact mass
- 130.0994 Da
- Density
- 0.9208 g/mL (at 20 °C)
- Melting point
- −70 °C
- Boiling point
- 152 °C
- Flash point
- 43.3 °C
- Water solubility
- 10–50 g/L (22.8 °C)
- logP
- 1.20Crippen estimate
- Polar surface area
- 21.8 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H224 Extremely flammable liquid and vapor20.5% of notifiers
- H226 Flammable liquid and vapor79.5% of notifiers
- H302 Harmful if swallowed57.9% of notifiers
- H312 Harmful in contact with skin20.5% of notifiers
- H315 Causes skin irritation63% of notifiers
- H317 May cause an allergic skin reaction79.5% of notifiers
- H318 Causes serious eye damage41.7% of notifiers
- H319 Causes serious eye irritation58.3% of notifiers
- H332 Harmful if inhaled20.9% of notifiers
- H335 May cause respiratory irritation62.6% of notifiers
- H341 Suspected of causing genetic defects42.1% of notifiers
- H351 Suspected of causing cancer42.1% of notifiers
- H412 Harmful to aquatic life with long lasting effects63.8% of notifiers
Aggregated from 254 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
7665-72-7SMILES
CC(C)(C)OCC1CO1InChIKey
SFJRUJUEMVAZLM-UHFFFAOYSA-NInChI
InChI=1S/C7H14O2/c1-7(2,3)9-5-6-4-8-6/h6H,4-5H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
17 names · show all
- 2-[(1,1-Dimethylethoxy)methyl]oxirane
- Oxirane, 2-[(1,1-dimethylethoxy)methyl]-
- Oxirane, [(1,1-dimethylethoxy)methyl]-
- Propane, 1-tert-butoxy-2,3-epoxy-
- tert-Butyl glycidyl ether
- 1,1-Dimethylethyl glycidyl ether
- (tert-Butoxymethyl)oxirane
- 1-tert-Butoxy-2,3-epoxypropane
- 2,3-Epoxypropyl-tert-butyl ether
- tert-Butyl 2,3-epoxypropyl ether
- (±)-tert-Butylglycidyl ether
- Glycidyl tert-butyl ether
- 2-(tert-Butoxymethyl)oxirane
- 3-tert-Butoxy-1,2-epoxypropane
- 2-Trimethylmethoxymethyloxirane
- p-tert-Butyl glycidyl ether
- 2-[(2-Methylpropan-2-yl)oxymethyl]oxirane
Work with 2-((1,1-Dimethylethoxy)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
Neopentyl glycol diglycidyl ether17557-23-246 % similar
2-((1-Methylethoxy)methyl)oxirane4016-14-243 % similar
(S)-(+)-Glycidyl methyl ether64491-68-543 % similar
(2R)-2-(Methoxymethyl)oxirane64491-70-943 % similar
Triglycidylglycerol13236-02-743 % similar
Diglycidyl ether2238-07-543 % similar
tert-Butyldimethyl[((S)-oxiranyl)methoxy]silane123237-62-741 % similar
(S)-Glycidyl trityl ether129940-50-740 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.