Ketone
Basic information
- CAS
1139802-51-9- Standard SMILES
CC(C)CCCC(=O)CCC(C)C- InChIKey
DCKZDPOUHNXIBI-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Overview
Ketone is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).
Names & identifiers
- Preferred name
- Ketone
- IUPAC
- 2,9-dimethyldecan-5-one
Names & synonyms
RefChem:924135R-CO-R'CHEBI:170872,9-dimethyldecan-5-oneSCHEMBL110410DTXSID50873948DCKZDPOUHNXIBI-UHFFFAOYSA-NAKOS021480436NS000621231139802-51-9
Database identifiers
- CAS
1139802-51-9、68514-41-0- PubChem CID
- 110392
- DTXSID
DTXSID50873948
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 136
Experimental & physicochemical properties
Dietary IngredientsKetones
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, 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.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Fire Hazards· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards· Inhalation or contact with material may irritate or burn skin and eyes.
DOT ID and Guide1224 127
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Irrit. 2 (100%)
Safety & protection
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First AidGeneral First Aid:
Exposure Control and Personal Protection
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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