2-Methyl-3-octanone
Basic information
- CAS
923-28-4- Standard SMILES
CCCCCC(=O)C(C)C- InChIKey
ODSKXCNVESXQCZ-UHFFFAOYSA-N- Molecular formula
- C9H18O
- Average molar mass
- 142.24 g/mol
- Monoisotopic mass
- 142.13576519
Names & identifiers
- Preferred name
- 2-Methyl-3-octanone
- IUPAC
- 2-methyloctan-3-one
- English name
- n-Amyl isopropyl ketone
- Molecular formula
- C9H18O
- Molecular weight
- 142.24
Names & synonyms
2-Methyloctan-3-one2-Methyl-3-octanone3-Octanone, 2-methyl-Isopropyl pentyl ketoneY5UD2Y63N6EINECS 213-092-4NSC-21982DTXSID10238958NSC 21982RefChem:88091DTXCID60161449ODSKXCNVESXQCZ-UHFFFAOYSA-N
Show more names
3-Octanone,2-methyl-Pentylisopropyl ketoneIsopropyl-N-pentylketone2-Methyl-3-Octanone,~97%n-Amyl isopropyl ketone 97%
923-28-4N-AMYLISOPROPYLKETONEn-AMYL ISOPROPYL KETONEAMYL ISOPROPYL KETONENSC21982UNII-Y5UD2Y63N6SCHEMBL1272620SCHEMBL6050258
Database identifiers
- CAS
923-28-4- PubChem CID
- 70209
- DTXSID
DTXSID10238958- UNII
- Y5UD2Y63N6
- EC Number
- 213-092-4
- Nikkaji
- J113.962B
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -18.52 °C · -18.52°C (estimate)
- Boiling point
- 182.85 °C · 182.85°C
- Density
- 0.8258 · 0.8258 (estimate)
- refractive index
- 1.4202 · 1.4202 (estimate)
- FDA UNII
- 5 UD2Y63N6 · Y5UD2Y63N6
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, P273, P280, P303+P361+P353, P370+P378, P403+P235, 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
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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