Basic information
- CAS
627-92-9- Standard SMILES
CC(C)CCOCC(O)CO- InChIKey
AIOHBDYXYKMBIF-UHFFFAOYSA-N- Molecular formula
- C8H18O3
- Average molar mass
- 162.23 g/mol
- Monoisotopic mass
- 162.12559443
Names & identifiers
- Preferred name
- 3-(3-Methylbutoxy)-1,2-propanediol
- IUPAC
- 3-(3-methylbutoxy)propane-1,2-diol
- English name
- 3-(Isopentyloxy)-1,2-propanediol
- Molecular formula
- C8H18O3
- Molecular weight
- 162.23
Names & synonyms
627-92-9RefChem:10667283-(3-methylbutoxy)-1,2-propanediol3-(3-methylbutoxy)propane-1,2-diol1-Isoamyl glycerol ether1,2-Propanediol, 3-isopentyloxy-1,2-Propanediol, 3-(3-methylbutoxy)-3-(isopentyloxy)propane-1,2-diolNSC 26599BRN 1699132NSC265991, 3-isopentyloxy-
Show more names
Glycerol1-isopentyl etherGlycerol α-monoisoamyl ether3-(Isoamyloxy)propane-1,2-diol3-Isopentyloxy-1,2-propanediol3-(Isopentyloxy)-1,2-propanediol
monoisoamyl glyceryl ether1, 3-(3-methylbutoxy)-SCHEMBL116747WLN: Q1YQ1O2Y1&13-isopentyloxy-propane-1,2-diolDTXSID00875775AIOHBDYXYKMBIF-UHFFFAOYSA-NNSC-26599
Database identifiers
- CAS
627-92-9- PubChem CID
- 95650
- DTXSID
DTXSID00875775- Nikkaji
- J6.873J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 83.4
Physicochemical properties
- Boiling point
- 261 °C · 261°C (estimate)
- Density
- 0.987 · 0.9870
- refractive index
- 1.408 · 1.4080 (estimate)
- pka
- 13.68 · 13.68±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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