2,2,3-Trimethylhexan-3-ol
Basic information
- CAS
5340-41-0- Standard SMILES
CCCC(C)(O)C(C)(C)C- InChIKey
DHNHHYWBZNQHGN-UHFFFAOYSA-N- Molecular formula
- C9H20O
- Average molar mass
- 144.25 g/mol
- Monoisotopic mass
- 144.15141526
Names & identifiers
- Preferred name
- 2,2,3-Trimethylhexan-3-ol
- IUPAC
- 2,2,3-trimethylhexan-3-ol
- English name
- 2,2,3-trimethylhexan-3-ol
- Molecular formula
- C9H20O
- Molecular weight
- 144.25
Names & synonyms
2,2,3-Trimethylhexan-3-ol5340-41-03-Hexanol, 2,2,3-trimethyl-2,2,3-TRIMETHYL-3-HEXANOL2,2,3-trimethyl-hexan-3-olMFCD00046593NSC908EINECS 226-278-53-Hexanol,2,3-trimethyl-SCHEMBL11420473DTXSID30871124NSC 908
Show more names
NSC-908DHNHHYWBZNQHGN-UHFFFAOYSA-NALBB-025826SBB072703AKOS006272922LS-08701CS-0453420NS00044063
Database identifiers
- CAS
5340-41-0- PubChem CID
- 95305
- DTXSID
DTXSID30871124- EC Number
- 226-278-5
- Nikkaji
- J217.904K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 6.15 °C · 6.15°C (estimate)
- Boiling point
- 170 °C · 170°C
- Density
- 0.842 · 0.8420
- refractive index
- 1.437 · 1.4370
- pka
- 15.38 · 15.38±0.29(Predicted)
- Henry's Law Constant
- 4.8 · 4.8×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…