Basic information
- CAS
53229-41-7- Standard SMILES
CC(C)CCC1CO1- InChIKey
XXVUOMFVRJIVLH-UHFFFAOYSA-N- Molecular formula
- C7H14O
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.10446507
Names & identifiers
- Preferred name
- Oxirane, (3-methylbutyl)-
- IUPAC
- 2-(3-methylbutyl)oxirane
- English name
- 1,2-Epoxy-5-methylhexane
- Molecular formula
- C7H14O
- Molecular weight
- 114.19
Names & synonyms
53229-41-7Oxirane, (3-methylbutyl)-DTXSID10336544RefChem:367384DTXCID60287633XXVUOMFVRJIVLH-UHFFFAOYSA-N2-(3-methylbutyl)oxirane1,2-Epoxy-5-methylhexaneIsoamylathylenoxyd2-Isopentyloxirane #SCHEMBL50349SCHEMBL501315
Show more names
(3-Methylbutyl)oxiraneOxirane, 2-(3-methylbutyl)-
SCHEMBL2805782SCHEMBL5483454AKOS026744770DB-300993EN300-194434Z1495386123
Database identifiers
- CAS
53229-41-7- PubChem CID
- 534451
- DTXSID
DTXSID10336544- EC Number
- 992-511-9
- Nikkaji
- J121.633C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.8
Physicochemical properties
- Boiling point
- 54 · 54-55 °C(Press: 34 Torr)
- Density
- 0.8338 g/cm3 · 0.8338 g/cm3(Temp: 19 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, 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)
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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