2-Methylpropane-1,2,3-triol
Basic information
- CAS
25245-58-3- Standard SMILES
CC(O)(CO)CO- InChIKey
OOJRTGIXWIUBGG-UHFFFAOYSA-N- Molecular formula
- C4H10O3
- Average molar mass
- 106.12 g/mol
- Monoisotopic mass
- 106.06299418
Names & identifiers
- Preferred name
- 2-Methylpropane-1,2,3-triol
- IUPAC
- 2-methylpropane-1,2,3-triol
- English name
- METHYLGLYCERIN
- Molecular formula
- C4H10O3
- Molecular weight
- 106.12
Names & synonyms
25245-58-32-methylpropane-1,2,3-triolDTXSID10323378RefChem:263946DTXCID502744962-methyl-1,2,3-propanetriolMETHYLGLYCERINMFCD204836852-methylglycerine2-Methyl-GlycerolNSC403834SCHEMBL165308
Show more names
1,2,3-Propanetriol, 2-methyl-
SCHEMBL283797SCHEMBL99300202-methyl-propane-1,2,3-triol1,2,3-Trihydroxy-2-methylpropaneAC1642AKOS037621235FM46182NSC-403834
Database identifiers
- CAS
25245-58-3- PubChem CID
- 345901
- DTXSID
DTXSID10323378- Nikkaji
- J803.510E
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 48.9
Physicochemical properties
- Boiling point
- 115 · 115-120 °C(Press: 1.6 Torr)
- Density
- 1.217 · 1.217±0.06 g/cm3(Predicted)
- pka
- 13.75 · 13.75±0.29(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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