5-Undecanol
Basic information
- CAS
37493-70-2- Standard SMILES
CCCCCCC(O)CCCC- InChIKey
PCFOZHPCKQPZCN-UHFFFAOYSA-N- Molecular formula
- C11H24O
- Average molar mass
- 172.31 g/mol
- Monoisotopic mass
- 172.18271539
Overview
Undecan-5-ol is a secondary alcohol that is undecane substituted by a hydroxy group at position 5. It is an undecanol and a secondary alcohol.
Names & identifiers
- Preferred name
- 5-Undecanol
- IUPAC
- undecan-5-ol
- English name
- 5-UNDECANOL
- Molecular formula
- C11H24O
- Molecular weight
- 172.31
Names & synonyms
5-Undecanol37493-70-2Undecan-5-olDTXSID50871383RefChem:1073370DTXCID40819052253-529-6Undecanol-5n-Butyl n-hexyl carbinolMFCD000467195-hendecanolbutylhexylcarbinol
Show more names
Undecane-5-ol
5-hydroxyundecaneEINECS 253-529-6NSC1585121-butylheptyl alcoholAI3-35683SCHEMBL349759SCHEMBL378689SCHEMBL9253135
Database identifiers
- CAS
37493-70-2- PubChem CID
- 98676
- DTXSID
DTXSID50871383- ChEBI
CHEBI:195612- EC Number
- 253-529-6
- Nikkaji
- J112.110C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 81.1
Physicochemical properties
- Melting point
- -4 °C · -4°C
- Boiling point
- 139 · 139-140°C 17mm
- Density
- 0 · 0,83 g/cm3
- refractive index
- 1.4362 · 1.4362
- Flash point
- 139 · 139-140°C/17mm
- storage temp.
- Store at room temperature
- pka
- 15.44 · 15.44±0.20(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- BRN
- 1698382 · 1698382
- LogP
- 4.249 · 4.249 (est)
- CAS DataBase Reference
- 37493 · 37493-70-2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2905.19.9090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25
- Hazard statements
- H227
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
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Related reactions
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Compound notes
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