Nonadecyl acetate
Basic information
- CAS
1577-43-1- Standard SMILES
CCCCCCCCCCCCCCCCCCCOC(C)=O- InChIKey
ZFVGKJKNNMIUDD-UHFFFAOYSA-N- Molecular formula
- C21H42O2
- Average molar mass
- 326.6 g/mol
- Monoisotopic mass
- 326.31848058
Names & identifiers
- Preferred name
- Nonadecyl acetate
- IUPAC
- nonadecyl acetate
- English name
- 1-Acetoxynonadecane
- Molecular formula
- C21H42O2
- Molecular weight
- 326.56
Names & synonyms
Nonadecyl acetate1577-43-11-Acetoxynonadecane1-Nonadecanol,1-acetate1-Nonadecanol, 1-acetateNonadecanyl acetateNonadecyl acetate #SCHEMBL28612523SCHEMBL30262887DTXSID50336881ZFVGKJKNNMIUDD-UHFFFAOYSA-NHY-166091
Database identifiers
- CAS
1577-43-1- PubChem CID
- 537013
- DTXSID
DTXSID50336881- Nikkaji
- J118.405I
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 354.3 · 354.3±5.0 °C(Predicted)
- Density
- 0.862 · 0.862±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
UsesNonadecanyl acetate is an ester product.
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Related reactions
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Compound notes
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