Basic information
- CAS
26215-92-9- Standard SMILES
CCCCCCCCCC(O)CCC- InChIKey
VHNLHPIEIIHMHH-UHFFFAOYSA-N- Molecular formula
- C13H28O
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.21401551
Overview
Tridecan-4-ol is a secondary alcohol that is tridecane substituted by a hydroxy group at position 4. It has a role as a volatile oil component and a plant metabolite. It is a tridecanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 4-Tridecanol
- IUPAC
- tridecan-4-ol
- English name
- 4-Tridecanol
- Molecular formula
- C13H28O
- Molecular weight
- 200.36
Names & synonyms
4-TridecanolTridecan-4-ol26215-92-9CHEMBL1922859tridecanol-104-hydroxytridecane4-tridecyl alcoholEINECS 247-520-6NSC158507AI3-35267SCHEMBL105856SCHEMBL5678381
Show more names
Tridecane-4-ol
SCHEMBL6433035SCHEMBL28567240SCHEMBL29235249CHEBI:195626DTXSID601317816BDBM50358403AKOS012718118NSC 158507
Database identifiers
- CAS
26215-92-9- PubChem CID
- 98972
- DTXSID
DTXSID601317816- ChEMBL
CHEMBL1922859- ChEBI
CHEBI:195626- EC Number
- 247-520-6
- Nikkaji
- J112.116B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 10
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Melting point
- 26.15 °C · 26.15°C (estimate)
- Boiling point
- 268.11 °C · 268.11°C (estimate)
- Density
- 0.7947 · 0.7947 (estimate)
- refractive index
- 1.4192 · 1.4192 (estimate)
Chemistry & industry
Suppliers2 total
成都格里迈特医药技术有限公司17308078590; 15928855497 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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