4-Dodecanone
Basic information
- CAS
6137-26-4- Standard SMILES
CCCCCCCCC(=O)CCC- InChIKey
AVQSOIZWTINZLU-UHFFFAOYSA-N- Molecular formula
- C12H24O
- Average molar mass
- 184.32 g/mol
- Monoisotopic mass
- 184.18271539
Names & identifiers
- Preferred name
- 4-Dodecanone
- IUPAC
- dodecan-4-one
- English name
- 4-Dodecanone
- Molecular formula
- C12H24O
- Molecular weight
- 184.32
Names & synonyms
4-DodecanoneDodecan4onenOctyl npropyl ketoneRefChem:522540Dodecan-4-one6137-26-4Octyl propyl ketoneMFCD00015300NSC-158519Propyl octyl ketoneEINECS 228-116-9NSC158519
Show more names
Dodecane-4-one4-Dodecanone,99%4-DODECANONE 99%N-OCTYL N-PROPYL KETONE
SCHEMBL918091DC43HC978DSCHEMBL7842197SCHEMBL9113563SCHEMBL9114018DTXSID40210287AKOS009157791NSC 158519
Database identifiers
- CAS
6137-26-4- PubChem CID
- 80226
- DTXSID
DTXSID40210287- UNII
- DC43HC978D
- EC Number
- 228-116-9
- Nikkaji
- J99.442A
Properties
Computed structural properties
- XLogP
- 4.6
- 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 DescriptionColorless to yellow liquid; [Alfa Aesar MSDS]
Physicochemical properties
- Melting point
- 11.5 °C · 11.5°C
- Boiling point
- 65 °C · 65°C 0,25mm
- Density
- 0 · 0,83 g/cm3
- refractive index
- 1.431 · 1.4310
- Flash point
- 65 °C/0.25mm · 65°C/0.25mm
- BRN
- 1703138 · 1703138
- LogP
- 4.544 · 4.544 (est)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 43 HC978D · DC43HC978D
- Safety Statements
- 24 · 24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- safety_code
- 24/25
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…