Butanoic acid, 3-oxo-, octadecyl ester
Basic information
- CAS
19150-71-1- Standard SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CC(C)=O- InChIKey
BMOMBHKAYGMGCR-UHFFFAOYSA-N- Molecular formula
- C22H42O3
- Average molar mass
- 354.6 g/mol
- Monoisotopic mass
- 354.3133952
Names & identifiers
- Preferred name
- Butanoic acid, 3-oxo-, octadecyl ester
- IUPAC
- octadecyl 3-oxobutanoate
- English name
- octadecyl acetoacetate
- Molecular formula
- C22H42O3
- Molecular weight
- 354.56708
Names & synonyms
octadecyl 3-oxobutanoateButanoic acid, 3-oxo-, octadecyl esterRefChem:571495Octadecyl acetoacetate19150-71-1EINECS 242-844-4AI3-02542NSC 406330NSC-406330stearyl acetoacetaten-octadecyl acetoacetate82G5BTG8AX
Show more names
3-Benzoyl-4-hydroxycouMarinAcetoacetic acid octadecyl ester3-Oxobutanoic acid octadecyl ester
SCHEMBL1325282Acetoacetic acid, octadecyl esterDTXSID80172678BMOMBHKAYGMGCR-UHFFFAOYSA-NNSC406330NS00026246
Database identifiers
- CAS
19150-71-1- PubChem CID
- 87943
- DTXSID
DTXSID80172678- UNII
- 82G5BTG8AX
- EC Number
- 242-844-4
- Nikkaji
- J224.866B
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 20
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 312
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
Regulatory InformationChemical: Butanoic acid, 3-oxo-, octadecyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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