Basic information
- CAS
17598-96-8- Standard SMILES
OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO- InChIKey
AKWFJQNBHYVIPY-UHFFFAOYSA-N- Molecular formula
- C26H54O14
- Average molar mass
- 590.7 g/mol
- Monoisotopic mass
- 590.35135639
Names & identifiers
- Preferred name
- 3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaoctatriacontane-1,38-diol
- IUPAC
- 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
- English name
- 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol
- Molecular formula
- C26H54O14
- Molecular weight
- 590.69856
Names & synonyms
17598-96-83,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaoctatriacontane-1,38-diolEINECS 241-569-7DTXSID80170053RefChem:91667DTXCID4092544HO-PEG13-OHPEG-14MFCD209263922-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanolAKWFJQNBHYVIPY-UHFFFAOYSA-N33O
Show more names
PEG13tridecaethylene glycolPEG13-OHOH-PEG13-OHCAS_17598-96-8Alcohol-PEG13-Alcohol3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxaoctatriacontan-1,38-diol3,6,9,12,15,18,21,24,27,30,33,36-Dodecaoxa-1,38-octatriacontanediol
tridecaethyleneglycolC26H54O14Poly(ethylene glycol) 600orb1307415orb1940652PEG 13SCHEMBL3680604AKOS040743357
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 37
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (PEG-14) -> CIR (Cosmetic Ingredient Review)
Solvent; Humectant
SurfactantsSurfactant
Physicochemical properties
- Boiling point
- 631.6 · 631.6±50.0 °C(Predicted)
- Density
- 1.116 · 1.116±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 14.06 · 14.06±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- InChI
- InChI=1S/C26H54O14/c27-1-3-29-5-7-31-9-11-33-13-15-35-17-19-37-21-23-39-25-26-40-24-22-38-20-18-36-16-14-34-12-10-32-8-6-30-4-2-28/h27-28H,1-26H2
- InChIKey
- AKWFJQNBHYVIPY-UHFFFAOYSA-N
- SMILES
- C(O)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
- FDA UNII
- 2 L7WA456VA · 2L7WA456VA
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
UsesCIR ingredient: PEG-14
Use ClassificationCosmetics -> Solvent; Humectant
Applications
DescriptionPEG14 is a PEG chain consisting of 13 ethylene glycol subunits and two terminal hydroxyl groups. The hydroxyl groups can participate in reactions to further derivatize the compound. The hydrophilic PEG chain increases the water solubility of the compound in aqueous media. The water solubility properties of the PEG linker are enhanced with longer PEG chains.
UsesHO-PEG13-OH is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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