Ethanol, 2-(2-(2-(2-mercaptoethoxy)ethoxy)ethoxy)-
Basic information
- CAS
90952-27-5- Standard SMILES
OCCOCCOCCOCCS- InChIKey
GKKYNULPAQDGHI-UHFFFAOYSA-N- Molecular formula
- C8H18O4S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.09258022
Names & identifiers
- Preferred name
- Ethanol, 2-(2-(2-(2-mercaptoethoxy)ethoxy)ethoxy)-
- IUPAC
- 2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethanol
- English name
- 1-mercapto-11-hydroxy-3,6,9-trioxaundecane
- Molecular formula
- C8H18O4S
- Molecular weight
- 210.29
Names & synonyms
90952-27-5Ethanol, 2-[2-[2-(2-mercaptoethoxy)ethoxy]ethoxy]-DTXSID40440360Ethanol, 2-(2-(2-(2-mercaptoethoxy)ethoxy)ethoxy)-RefChem:1084462DTXCID00391182Thiol-PEG4-Alcohol2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethanolMFCD225747732-[2-[2-(2-mercaptoethoxy)ethoxy]ethoxy]ethanolHS-PEG4-OH2-{2-[2-(2-Mercaptoethoxy)ethoxy]ethoxy}ethanol
Show more names
HO-PEG4-SHThiol-PEG4-olMercapto-PEG4-olHO-PEG4-SH (HS-PEG4-OH)1-mercapto-11-hydroxy-3,6,9-trioxaundecane
SH-PEG4-OH2-{2-[2-(2-SULFANYLETHOXY)ETHOXY]ETHOXY}ETHANOL2-{2-[2-(2-sulfanylethoxy)ethoxy]ethoxy}ethan-1-olSCHEMBL3909088GKKYNULPAQDGHI-UHFFFAOYSA-NAC7208AKOS040743987BP-20960
Database identifiers
- CAS
90952-27-5- PubChem CID
- 10465720
- DTXSID
DTXSID40440360- EC Number
- 804-584-5
- Nikkaji
- J1.118.279H
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 92.2
Physicochemical properties
- Density
- 1.098 g/mL · 1.098 g/mL at 25 °C
- refractive index
- 20 · n20/D1.481
- Flash point
- 110 °C · >110 °C
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- form
- liquid
- color
- Light brown to brown
- InChI
- 1S/C8H18O4S/c9-1-2-10-3-4-11-5-6-12-7-8-13/h9,13H,1-8H2
- InChIKey
- GKKYNULPAQDGHI-UHFFFAOYSA-N
- SMILES
- OCCOCCOCCOCCS
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H314
- Precautionary statements
- 280 · P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
- Hazard Codes
- T,C
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P264, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3261 8 / PGIII
- risk_code
- 34-38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_code
- T,C
- safety_code
- 26-36/37/39-45
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301-H314
- Hazard Classifications
- Acute Tox. 3 OralSkin Corr. 1B
- Precautionary statements
- P280-P301+P310+P330-P301+P330+P331-P303+P361+P353-P305+P351+P338
Chemistry & industry
Applications
DescriptionThiol-PEG4-Alcohol is a crosslinker containing a hydroxyl group and a thiol group. The thiol group reacts with maleimide, OPSS, vinylsulfone and transition metal surfaces including gold, silver, etc. The hydrophilic PEG spacer increases solubility in aqueous media.
UsesOligo-ehtylene glycol of peptides and small molecules (PEGylation)PEG-disulfide formationultra-thin protein-resistant monolayersDensely packed monolayer and a flexible-hydrophilic oligo ethylene glycol arm for avoiding non-specific adsorption
Upstream & downstream products
Upstream raw materials
Related reactions
3 records
Compound notes
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