Basic information
- CAS
21398-89-0- Standard SMILES
COCC(C)(CO)CO- InChIKey
PHYLYOUKLVCIAO-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.09429431
Names & identifiers
- Preferred name
- 2-(Methoxymethyl)-2-methylpropane-1,3-diol
- IUPAC
- 2-(methoxymethyl)-2-methylpropane-1,3-diol
- English name
- 2-(methoxymethyl)-2-methylpropane-1,3-diol
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17
Names & synonyms
2-(Methoxymethyl)-2-methylpropane-1,3-diol21398-89-01,3-Propanediol,2-(methoxymethyl)-2-methyl-EINECS 244-368-2SCHEMBL9534865DTXSID60175662WAA39889AKOS0267280522-methoxymethyl2-methyl-1,3-propanediol2-methyl-2-meth-oxymethyl-1,3-propanediolNS00026856EN300-136129
Show more names
2-(Methoxymethyl)-2-methyl-1,3-propanediol1,3-Propanediol, 2-(methoxymethyl)-2-methyl-
Z1627202220
Database identifiers
- CAS
21398-89-0- PubChem CID
- 88886
- DTXSID
DTXSID60175662- EC Number
- 244-368-2
- Nikkaji
- J226.196K
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 68.7
Physicochemical properties
- Boiling point
- 194 · 194-195 °C
- Density
- 0.9822 g/cm3 · 0.9822 g/cm3
- pka
- 14.25 · 14.25±0.10(Predicted)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
2 records
Compound notes
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