Basic information
- CAS
22811-21-8- Standard SMILES
CCCCCCC(O)(CCCC)C(CCCC)=NO- InChIKey
ZNEIASKWUMVQPU-UHFFFAOYSA-N- Molecular formula
- C16H33NO2
- Average molar mass
- 271.44 g/mol
- Monoisotopic mass
- 271.2511293
Names & identifiers
- Preferred name
- 5-Dodecanone, 6-butyl-6-hydroxy-, oxime
- IUPAC
- 6-butyl-5-hydroxyiminododecan-6-ol
- English name
- 6-butyl-6-hydroxydodecan-5-one oxime
- Molecular formula
- C16H33NO2
- Molecular weight
- 271.44
Names & synonyms
22811-21-85-Dodecanone, 6-butyl-6-hydroxy-, oximeEINECS 245-239-3DTXSID60885214RefChem:535388DTXCID9010246086-Butyl-6-hydroxydodecan-5-one oximeSCHEMBL8594258ZNEIASKWUMVQPU-UHFFFAOYSA-N6-butyl-5-(hydroxyimino)dodecan-6-olNS000524036-Butyl-6-hydroxy-5-dodecanone oxime
Database identifiers
- CAS
22811-21-8- PubChem CID
- 90844
- DTXSID
DTXSID60885214- EC Number
- 245-239-3
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 390.964 · 390.964±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.929 · 0.929±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.006 · 12.006±0.10(predicted)
- EPA Substance Registry System
- 5 · 5-Dodecanone, 6-butyl-6-hydroxy-, oxime (22811-21-8)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information5-Dodecanone, 6-butyl-6-hydroxy-, oxime: INACTIVE
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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