3,4-Dimethyl-2-hexanone
Basic information
- CAS
19550-10-8- Standard SMILES
CCC(C)C(C)C(C)=O- InChIKey
YGXOERUAAWTDEV-UHFFFAOYSA-N- Molecular formula
- C8H16O
- Average molar mass
- 128.21 g/mol
- Monoisotopic mass
- 128.12011513
Names & identifiers
- Preferred name
- 3,4-Dimethyl-2-hexanone
- IUPAC
- 3,4-dimethylhexan-2-one
- English name
- 3,4-Dimethyl-2-hexanone
- Molecular formula
- C8H16O
- Molecular weight
- 128.21
Names & synonyms
3,4-Dimethyl-2-hexanone19550-10-82-Hexanone, 3,4-dimethyl-PYU5QA4J6FNSC-103150RefChem:10657953,4-dimethylhexan-2-one3,4-dimethyl-hexan-2-oneNSC103150NSC 1031502-Hexanone,4-dimethyl-3,4-Dimethyl-2-hexanon
Show more names
SCHEMBL1785218DTXSID30871301AKOS014316345
Database identifiers
- CAS
19550-10-8- PubChem CID
- 89184
- DTXSID
DTXSID30871301- UNII
- PYU5QA4J6F
- Nikkaji
- J133.701G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 96.7
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -32.24 °C · -32.24°C (estimate)
- Boiling point
- 158.05 °C · 158.05°C
- Density
- 0.8295 · 0.8295
- refractive index
- 1.4193 · 1.4193
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Compound notes
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