Basic information
- CAS
66576-26-9- Standard SMILES
CC(C)C(C)C(C)(C)O- InChIKey
FTPXXARYDFWPGE-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 2,3,4-Trimethylpentan-2-ol
- IUPAC
- 2,3,4-trimethylpentan-2-ol
- English name
- 2,3,4-trimethylpentan-2-ol
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
2,3,4-trimethylpentan-2-ol66576-26-9DTXSID70985173RefChem:1059218DTXCID1014123722,3,4-TRIMETHYL-2-PENTANOL2-Pentanol, 2,3,4-trimethyl-SCHEMBL1245043SCHEMBL11739745AKOS006277004SB83832NS00121436
Show more names
2-Pentanol,2,3,4-trimethyl-
D90064
Database identifiers
- CAS
66576-26-9- PubChem CID
- 18280
- DTXSID
DTXSID70985173
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.6
Physicochemical properties
- Melting point
- -61.15 °C · -61.15°C (estimate)
- Boiling point
- 170.96 °C · 170.96°C (estimate)
- Density
- 0.804 · 0.8040
- refractive index
- 1.435 · 1.4350
- pka
- 15.14 · 15.14±0.29(Predicted)
- Henry's Law Constant
- 7.2 · 7.2×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H227-H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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