2-Nonadecanol
Basic information
- CAS
26533-36-8- Standard SMILES
CCCCCCCCCCCCCCCCCC(C)O- InChIKey
QXYWIOWTBOREMG-UHFFFAOYSA-N- Molecular formula
- C19H40O
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.3079159
Overview
Nonadecan-2-ol is a secondary fatty alcohol that is nonadecane substituted by a hydroxy group at position 2. It has a role as a plant metabolite and a bacterial metabolite. It is a secondary fatty alcohol and a nonadecanol.
Names & identifiers
- Preferred name
- 2-Nonadecanol
- IUPAC
- nonadecan-2-ol
- English name
- 2-NONADECANOL
- Molecular formula
- C19H40O
- Molecular weight
- 284.52
Names & synonyms
2-NonadecanolNonadecan-2-ol26533-36-8DTXSID80880761RefChem:1063940DTXCID901022121247-763-8METHYLHEPTADECYLCARBINOL2-hydroxynonadecaneNSC87607EINECS 247-763-8AI3-36472
Show more names
2-NONADECANOL 97%
SCHEMBL380156SCHEMBL4641218SCHEMBL5708948CHEBI:197471NSC 87607NSC-87607AKOS024333051DB-046976
Database identifiers
- CAS
26533-36-8- PubChem CID
- 98188
- DTXSID
DTXSID80880761- ChEBI
CHEBI:197471- EC Number
- 247-763-8
- Nikkaji
- J248.962G
Properties
Computed structural properties
- XLogP
- 8.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 16
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 167
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 52 °C · 52°C
- Boiling point
- 357 °C · 357°C (estimate)
- Density
- 0.8528 · 0.8528 (estimate)
- refractive index
- 1.4365 · 1.4365 (estimate)
- pka
- 15.26 · 15.26±0.20(Predicted)
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Related reactions
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Compound notes
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