Basic information
- CAS
23171-85-9- Standard SMILES
CCC(C)(C)C(C)(C)O- InChIKey
FBWWGYIEJGQWJP-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 2,3,3-Trimethyl-2-pentanol
- IUPAC
- 2,3,3-trimethylpentan-2-ol
- English name
- 2,3,3-Trimethyl-2-pentanol
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
2,3,3-Trimethyl-2-pentanol23171-85-9DTXSID50177751RefChem:81190DTXCID10100242FBWWGYIEJGQWJP-UHFFFAOYSA-N2,3,3-trimethylpentan-2-olSCHEMBL5374008SCHEMBL5779474AKOS006274370EN300-18393112-Pentanol, 2,3,3-trimethyl-
Database identifiers
- CAS
23171-85-9- PubChem CID
- 141007
- DTXSID
DTXSID50177751
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 92.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -0.5 °C · -0.5°C
- Boiling point
- 170.96 °C · 170.96°C (estimate)
- Density
- 0.815 · 0.8150
- refractive index
- 1.436 · 1.4360
- Henry's Law Constant
- 8 · 8.0×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
Chemistry & industry
Suppliers1 total
成都卡麦尔医药科技有限公司028-67136579 15828051124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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