Isobutyloxirane
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Basic information
- CAS
23850-78-4- Standard SMILES
CC(C)CC1CO1- InChIKey
YXIOECOAAMLHPG-UHFFFAOYSA-N- Molecular formula
- C6H12O
- Average molar mass
- 100.16 g/mol
- Monoisotopic mass
- 100.088815
Names & identifiers
- Preferred name
- Isobutyloxirane
- IUPAC
- 2-(2-methylpropyl)oxirane
- English name
- isobutyloxirane
- Molecular formula
- C6H12O
- Molecular weight
- 100.16
Names & synonyms
2-(2-methylpropyl)oxiraneIsobutyloxiraneEINECS 245-911-6DTXSID101318790NSC 92739RefChem:791670DTXCID301742478245-911-623850-78-42-IsobutyloxiraneOxirane, (2-methylpropyl)-1,2-Epoxy-4-methylpentane
Show more names
(2-Methylpropyl)oxiraneOxirane, 2-(2-methylpropyl)-
Pentane, 1,2-epoxy-4-methyl-4-methyl-1,2-epoxypentaneOxirane,2-(2-methylpropyl)-2-isobutyl-oxiraneNSC927394-methyl-epoxypentane4-methyl-1-pentene oxidePentane,2-epoxy-4-methyl-
Database identifiers
- CAS
23850-78-4- PubChem CID
- 90990
- DTXSID
DTXSID101318790- EC Number
- 245-911-6
- Nikkaji
- J129.223D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 59.2
Physicochemical properties
- LogP
- 1.702 · 1.702 (est)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 335 · H335-H315-H319-H225
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- Hazard statements
- H335-H315-H319-H225
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Related reactions
6 records
Compound notes
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