Heptaethylene glycol

HCID 79718CAS 5617-32-3

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Basic information

Standard SMILES: OCCOCCOCCOCCOCCOCCOCCO
InChIKey: XPJRQAIZZQMSCM-UHFFFAOYSA-N
Molecular formula: C14H30O8
Average molar mass: 326.38 g/mol
Monoisotopic mass: 326.19406791

Names & identifiers

Preferred name: Heptaethylene glycol
IUPAC: 2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
English name: Heptaethylene glycol
Molecular formula: C14H30O8
Molecular weight: 326.38

Names & synonyms

Heptaethylene glycol5617-32-33,6,9,12,15,18-Hexaoxaeicosane-1,20-diolCHEBI:44748DTXSID10204698RefChem:1086421DTXCID401271893,6,9,12,15,18-Hexaoxaicosane-1,20-diolHO-PEG7-OH2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolC14H30O8MFCD00002876

Show more names

Alcohol-PEG7-AlcoholheptaMethelene glycolHeptaethyleneGlycol>Heptaethylene glycol 98%Heptaethylene glycol, PEG7Heptaethylene glycol in methanolHEPTAETHYLENE GLYCOL ISO 9001：2015 REACH

3,6,9,12,15,18-Hexaoxaeicosane-1,20-diol;HEPTAETHYLENE GLYCOL, PEG330OH-PEG7-OH2-{2-[2-(2-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}ethoxy)ethoxy]ethoxy}ethan-1-o lEINECS 227-040-3Polyethylene glycol 350Epitope ID:161055NONOXYNOL-9_met099

Database identifiers

CAS: 5617-32-3
PubChem CID: 79718
DTXSID: DTXSID10204698
ChEBI: CHEBI:44748
EC Number: 227-040-3
Nikkaji: J96.999K

Properties

Computed structural properties

XLogP: -2
Topological polar surface area: 95.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 19
Heavy atoms: 22
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 244 °C · 244 °C / 0.6mmHg
Density: 1.13 · 1.13
refractive index: 1.4653 · 1.4653 (589.3 nm 20℃)
storage temp.: Sealed in dry,Room Temperature
solubility: Chloroform, Ethyl Acetate (Sparingly)
pka: 14.06 · 14.06±0.10(Predicted)
form: Oil
color: Colourless
InChI: InChI=1S/C14H30O8/c15-1-3-17-5-7-19-9-11-21-13-14-22-12-10-20-8-6-18-4-2-16/h15-16H,1-14H2
InChIKey: XPJRQAIZZQMSCM-UHFFFAOYSA-N
SMILES: C(O)COCCOCCOCCOCCOCCOCCO
FDA UNII: 3 T82M2V · ZBR3T82M2V
EPA Substance Registry System: Heptaethylene glycol (5617-32-3)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2909498090 · 2909498090

Safety & regulation

Safety data

hs_code: 2909498090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 3 items

DescriptionHeptaethylene glycol contains repeating ethylene glycol subunits and two terminal hydroxyl groups. The hydroxyl groups can react to further derivatize the compound. The hydrophilic PEG linker increases the water solubility of a compound in aqueous media. The water solubility properties of the PEG linker are enhanced with longer PEG chains.

UsesHeptaethylene Glycol is used for the preparation of large ring crown ether compounds.

General DescriptionHeptaethylene glycol belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). It is an extremely weak basic (essentially neutral) compound (based on its pKa). Heptaethylene glycol is a PEG-based PROTAC linker that can be used to synthesise PROTACs.