Basic information
- CAS
1449-49-6- Standard SMILES
CC1CC(=O)C1(C)C- InChIKey
XCNUTNIUANPMKW-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- 2,2,3-Trimethylcyclobutan-1-one
- IUPAC
- 2,2,3-trimethylcyclobutan-1-one
- English name
- 2,2,3-Trimethylcyclobutanone
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
2,2,3-trimethylcyclobutan-1-one1449-49-6DTXSID10932444RefChem:440666DTXCID701361135977-426-72,2,3-TrimethylcyclobutanoneCyclobutanone, 2,2,3-trimethyl-2,2,3-TRIMETHYL CYCLOBUTANONESCHEMBL2693191XCNUTNIUANPMKW-UHFFFAOYSA-NAKOS019999137
Show more names
EN300-180262
Database identifiers
- CAS
1449-49-6- PubChem CID
- 15065
- DTXSID
DTXSID10932444- EC Number
- 977-426-7
- Nikkaji
- J110.420I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 133 °C · 133 °C
- Density
- 0.891 · 0.891±0.06 g/cm3(Predicted)
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
Warning
H226 (100%): Flammable liquid and vapor [Warning 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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