Basic information
- CAS
597-93-3- Standard SMILES
CCCCC(O)(CCCC)CCCC- InChIKey
RWKMYNWNESNJQQ-UHFFFAOYSA-N- Molecular formula
- C13H28O
- Average molar mass
- 200.36 g/mol
- Monoisotopic mass
- 200.21401551
Names & identifiers
- Preferred name
- 5-Butyl-5-nonanol
- IUPAC
- 5-butylnonan-5-ol
- English name
- 5-Butyl-5-nonanol
- Molecular formula
- C13H28O
- Molecular weight
- 200.36
Names & synonyms
5-butylnonan-5-olTributylcarbinol5-Butyl-5-nonanol597-93-35-Nonanol, 5-butyl-Tributylmethanol5-butyl-nonan-5-olMFCD00049207NSC943SCHEMBL2345603SCHEMBL2345610DTXSID50208413
Show more names
5-Butylnonane-5-ol1,1-Dibutyl-1-pentanol1,1-Dibutylpentyl alcohol
NSC 943NSC-943NSC97267NSC 97267NSC-97267AKOS037622034H57122F575613
Database identifiers
- CAS
597-93-3- PubChem CID
- 136392
- DTXSID
DTXSID50208413- Nikkaji
- J117.394D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 98.6
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- 20 °C · 20°C
- Boiling point
- 268.11 °C · 268.11°C (estimate)
- Density
- 0.8408 · 0.8408
- refractive index
- 1.4445 · 1.4445
- pka
- 15.38 · 15.38±0.29(Predicted)
Chemistry & industry
Suppliers7 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [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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