Basic information
- CAS
13021-50-6- Standard SMILES
CCOCC(O)COC(C)C- InChIKey
ZATQNAGGARBGCM-UHFFFAOYSA-N- Molecular formula
- C8H18O3
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.12559443
Names & identifiers
- Preferred name
- 1-Ethoxy-3-(1-methylethoxy)-2-propanol
- IUPAC
- 1-ethoxy-3-propan-2-yloxypropan-2-ol
- English name
- 1-Ethoxy-3-isopropoxy-2-propanol
- Molecular formula
- C8H18O3
- Molecular weight
- 162.23
Names & synonyms
13021-50-62-Propanol, 1-ethoxy-3-isopropoxy-DTXSID1010302771-Ethoxy-3-(1-methylethoxy)-2-propanolRefChem:1055376DTXCID5015153721-Ethoxy-3-isopropoxy-2-propanol2-Propanol, 1-ethoxy-3-(1-methylethoxy)-1-Ethoxy-3-isopropoxypropan-2-ol1-ethoxy-3-propan-2-yloxypropan-2-olNSC 25568BRN 1739142
Show more names
NSC25568WLN: 2O1YQ1OY1&1NSC-25568AKOS0181240672-Propanol,1-ethoxy-3-(1-methylethoxy)-DS-004374
Database identifiers
- CAS
13021-50-6- PubChem CID
- 95635
- DTXSID
DTXSID101030277- Nikkaji
- J87.466C
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 83.4
Physicochemical properties
- Boiling point
- 228.93 °C · 228.93°C (rough estimate)
- Density
- 0.9937 · 0.9937 (rough estimate)
- refractive index
- 1.41 · 1.4100 (estimate)
- pka
- 13.73 · 13.73±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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