Basic information
- Standard SMILES
CC(C)OCC(O)COC(C)C- InChIKey
AJJGRBMYVRSEES-UHFFFAOYSA-N- Molecular formula
- C9H20O3
- Average molar mass
- 176.25 g/mol
- Monoisotopic mass
- 176.1412445
Names & identifiers
- Preferred name
- 1,3-Bis(1-methylethoxy)-2-propanol
- IUPAC
- 1,3-di(propan-2-yloxy)propan-2-ol
- English name
- 1,3-dipropan-2-yloxypropan-2-ol
- Molecular formula
- C9H20O3
- Molecular weight
- 176.25
Names & synonyms
1,3-Diisopropoxy-2-propanol13021-54-02-Propanol, 1,3-diisopropoxy-1,3-Diisopropyl glycerol diether2-Propanol, 1,3-bis(1-methylethoxy)-KAH8EA8BKANSC-46561DTXSID801564131,3-Bis(1-methylethoxy)-2-propanolRefChem:1052718DTXCID00789041,3-di(propan-2-yloxy)propan-2-ol
Show more names
1,3-dipropan-2-yloxypropan-2-ol1-Isopropoxy-3-isopropoxy-2-propanol
1,3-bis(propan-2-yloxy)propan-2-olGlycerol alpha,gamma-diisopropyl etherNSC 46561BRN 16998051,3-Bis(isopropoxy)-2-propanol2-Propanol,1,3-bis(1-methylethoxy)-UNII-KAH8EA8BKA2-Propanol,3-diisopropoxy-
Database identifiers
- CAS
13021-54-0- PubChem CID
- 83052
- DTXSID
DTXSID80156413- UNII
- KAH8EA8BKA
- Nikkaji
- J69.760E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 89.9
Physicochemical properties
- Boiling point
- 201.7 °C · 201.7 °C
- Density
- 0.9149 g/cm3 · 0.9149 g/cm3
- pka
- 13.76 · 13.76±0.20(Predicted)
- FDA UNII
- 8 EA8BKA · KAH8EA8BKA
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
1 records
Linked notes
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