2-(2,2-Dimethylpropyl)oxirane
Basic information
- CAS
2245-29-6- Standard SMILES
CC(C)(C)CC1CO1- InChIKey
JFNMDOCPBNQNQR-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- 2-(2,2-Dimethylpropyl)oxirane
- IUPAC
- 2-(2,2-dimethylpropyl)oxirane
- English name
- Neopentyloxirane
- Molecular weight
- 0
Names & synonyms
2-(2,2-dimethylpropyl)oxirane2245-29-6NeopentyloxiraneOxirane, (2,2-dimethylpropyl)-Pentane, 1,2-epoxy-4,4-dimethyl-2-Neopentyloxirane #SCHEMBL1262495SCHEMBL6850192JFNMDOCPBNQNQR-UHFFFAOYSA-NAKOS012248350EN300-1251074(2,2-Dimethylpropyl)oxirane
Show more names
1,2-Epoxy-4,4-dimethylpentane
Database identifiers
- CAS
2245-29-6- PubChem CID
- 545268
- EC Number
- 161-636-3
- Nikkaji
- J99.910E
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 80.9
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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