Basic information
- CAS
66553-15-9- Standard SMILES
CC(C)C(C)(O)CO- InChIKey
SQLSBTNINKQQPG-UHFFFAOYSA-N- Molecular formula
- C6H14O2
- Average molar mass
- 118.17 g/mol
- Monoisotopic mass
- 118.09937969
Names & identifiers
- Preferred name
- 2,3-Dimethyl-1,2-butanediol
- IUPAC
- 2,3-dimethylbutane-1,2-diol
- English name
- 2,3-dimethylbutane-1,2-diol
- Molecular formula
- C6H14O2
- Molecular weight
- 118.17
Names & synonyms
2,3-Dimethylbutane-1,2-diol66553-15-92,3-dimethyl-1,2-butanediolDTXSID801310266RefChem:1059456DTXCID101740121266-403-01,2-Butanediol,2,3-dimethyl-EINECS 266-403-0NSC126861SCHEMBL268885SCHEMBL270679
Show more names
1,2-Butanediol, 2,3-dimethyl-
SCHEMBL271544SCHEMBL271545SCHEMBL4631851SCHEMBL9575091SQLSBTNINKQQPG-UHFFFAOYSA-NAKOS019065127NSC 126861NSC-126861
Database identifiers
- CAS
66553-15-9- PubChem CID
- 98423
- DTXSID
DTXSID801310266- EC Number
- 266-403-0
- Nikkaji
- J310.115K
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 70.9
Physicochemical properties
- Melting point
- 26.38 °C · 26.38°C (estimate)
- Boiling point
- 221.7 °C · 221.7°C (rough estimate)
- Density
- 0.9843 · 0.9843 (rough estimate)
- refractive index
- 1.447 · 1.4470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…