2,3,3-Trimethylbutan-1-ol
Basic information
- CAS
36794-64-6- Standard SMILES
CC(CO)C(C)(C)C- InChIKey
IWWVOLGZHKFWKK-UHFFFAOYSA-N- Molecular formula
- C7H16O
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 116.12011513
Names & identifiers
- Preferred name
- 2,3,3-Trimethylbutan-1-ol
- IUPAC
- 2,3,3-trimethylbutan-1-ol
- English name
- 2,3,3-trimethylbutan-1-ol
- Molecular formula
- C7H16O
- Molecular weight
- 116.2
Names & synonyms
2,3,3-trimethylbutan-1-ol36794-64-6DTXSID70958009RefChem:1059169DTXCID009704512,3,3-Trimethylbutanol2,3,3-TRIMETHYL-1-BUTANOLSCHEMBL2326047SCHEMBL2326056IWWVOLGZHKFWKK-UHFFFAOYSA-NMFCD00961806AKOS015262757
Show more names
1-Butanol, 2,3,3-trimethyl-
EN300-323268
Database identifiers
- CAS
36794-64-6- PubChem CID
- 142107
- DTXSID
DTXSID70958009
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 61.3
Physicochemical properties
- Melting point
- 64.5 · 64.5-65 °C
- Boiling point
- 159.5 · 159.5-162.0 °C(Press: 761 Torr)
- Density
- 0.8238 g/cm3 · 0.8238 g/cm3(Temp: 25 °C)
- pka
- 15.05 · 15.05±0.10(Predicted)
- Henry's Law Constant
- 7.9 · 7.9×10-2 mol/(m3Pa) at 25℃, Yaws (2003)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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