Basic information
- CAS
26496-20-8- Standard SMILES
CCCCCCCCCCC(=O)CCC- InChIKey
OWIOJZLDFONFSU-UHFFFAOYSA-N- Molecular formula
- C14H28O
- Average molar mass
- 212.37 g/mol
- Monoisotopic mass
- 212.21401551
Names & identifiers
- Preferred name
- 4-Tetradecanone
- IUPAC
- tetradecan-4-one
- English name
- 4-Tetradecanone
- Molecular formula
- C14H28O
- Molecular weight
- 212.37
Names & synonyms
4-TetradecanoneTetradecan-4-one26496-20-84-TetradekanonEINECS 247-747-0SCHEMBL1412994SCHEMBL7621914DTXSID00867630NSC158501NSC 158501NSC-158501NS00012780
Database identifiers
- CAS
26496-20-8、68458-86-6- PubChem CID
- 98674
- DTXSID
DTXSID00867630- EC Number
- 247-747-0
- Nikkaji
- J248.957K
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 11
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 140
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Aliphatic Ketones, Other
Physicochemical properties
- Melting point
- 38.18 °C · 38.18°C (estimate)
- Boiling point
- 277.23 °C · 277.23°C (estimate)
- Density
- 0.8256 · 0.8256 (estimate)
- refractive index
- 1.4388 · 1.4388 (estimate)
- InChI
- InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-13-14(15)12-4-2/h3-13H2,1-2H3
- InChIKey
- OWIOJZLDFONFSU-UHFFFAOYSA-N
- SMILES
- CCCC(=O)CCCCCCCCCC
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
Suppliers2 total
石家庄琪跃化工有限公司15369111890 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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