Triethylene glycol monophenyl ether
Basic information
- CAS
7204-16-2- Standard SMILES
OCCOCCOCCOc1ccccc1- InChIKey
IDHKBOHEOJFNNS-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050906
Names & identifiers
- Preferred name
- Triethylene glycol monophenyl ether
- IUPAC
- 2-[2-(2-phenoxyethoxy)ethoxy]ethanol
- English name
- Ethanol,2-[2-(2-phenoxyethoxy
- Molecular formula
- C12H18O4
- Molecular weight
- 226.27
Names & synonyms
7204-16-2TRIETHYLENE GLYCOL MONOPHENYL ETHEREthanol, 2-[2-(2-phenoxyethoxy)ethoxy]-Triethylene glycol phenyl etherDTXSID70222353Ethanol, 2-(2-(2-phenoxyethoxy)ethoxy)-RefChem:191535DTXCID70144844IDHKBOHEOJFNNS-UHFFFAOYSA-N2-[2-(2-Phenoxyethoxy)ethoxy]ethanolPh-PEG3MFCD01099021
Show more names
2-[2-(2-phenoxyethoxy)ethoxy]ethan-1-ol2-(2-(2-Phenoxyethoxy)ethoxy)ethan-1-olETHANOL,2-[2-(2-PHENOXYETHOXYSCHEMBL408349orb3133103SCHEMBL4981575AKOS024355546HY-W096158
Database identifiers
- CAS
7204-16-2- PubChem CID
- 23608
- DTXSID
DTXSID70222353- Nikkaji
- J104.660H
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 146
Physicochemical properties
- Boiling point
- 74 · 74-77 °C(Press: 0.05 Torr)
- Density
- 1.097 · 1.097±0.06 g/cm3(Predicted)
- pka
- 14.36 · 14.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesPh-PEG3 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
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Compound notes
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