2,2,4-Trimethyl-3-hydroxypentanal
Basic information
- CAS
918-79-6- Standard SMILES
CC(C)C(O)C(C)(C)C=O- InChIKey
OZMMQWRIAMEIJS-UHFFFAOYSA-N- Molecular formula
- C8H16O2
- Average molar mass
- 144.21 g/mol
- Monoisotopic mass
- 144.11502975
Names & identifiers
- Preferred name
- 2,2,4-Trimethyl-3-hydroxypentanal
- IUPAC
- 3-hydroxy-2,2,4-trimethylpentanal
- English name
- 3-Hydroxy-2,2,4-trimethylvaleraldehyde
- Molecular formula
- C8H16O2
- Molecular weight
- 144.21
Names & synonyms
2,2,4-Trimethyl-3-hydroxypentanal918-79-6DTXSID50445942RefChem:242882DTXCID503967633-hydroxy-2,2,4-trimethylpentanal3-Hydroxy-2,2,4-trimethylvaleraldehyde3-hydroxy-2,2,4-trimethyl-pentanalSCHEMBL730626DB-009176IsobutylaldolGlycerol Impurity 46
Show more names
Pentanal, 3-hydroxy-2,2,4-trimethyl-
Database identifiers
- CAS
918-79-6- PubChem CID
- 10855596
- DTXSID
DTXSID50445942- Nikkaji
- J24.174A
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Melting point
- 120 °C · 120 °C (decomp)
- Boiling point
- 202.84 °C · 202.84°C (rough estimate)
- Density
- 0.9482 · 0.9482
- refractive index
- 1.4501 · 1.4501 (estimate)
- pka
- 14.19 · 14.19±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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