6-Dodecanone
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Basic information
- CAS
6064-27-3- Standard SMILES
CCCCCCC(=O)CCCCC- InChIKey
ZAQZICGOYPRHCK-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Names & identifiers
- Preferred name
- 6-Dodecanone
- IUPAC
- dodecan-6-one
- English name
- 6-DODECANONE
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
6-Dodecanone6064-27-3AI3-07073DTXSID90209444RefChem:104566DTXCID10131935ZAQZICGOYPRHCK-UHFFFAOYSA-Ndodecan-6-oneSCHEMBL5725SCHEMBL6050099SCHEMBL7840205SCHEMBL27841904
Show more names
Dodecane-6-onePentylhexyl ketone
MFCD00060973AKOS006271830SY465166DB-359542
Database identifiers
- CAS
6064-27-3- PubChem CID
- 80165
- DTXSID
DTXSID90209444- Nikkaji
- J99.440E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 118
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionMelting point = 9 deg C; [ChemSampCo MSDS]
Physicochemical properties
- Melting point
- 10 °C · 10°C
- Boiling point
- 243.3 °C · 243.3°C (estimate)
- Density
- 0.83 · 0.8300
- refractive index
- 1.4323 · 1.4323 (estimate)
- LogP
- 4.544 · 4.544 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Hazards SummaryA skin and eye irritant; [ChemSampCo MSDS]
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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