Triethylene glycol di-p-tosylate
Basic information
- CAS
19249-03-7- Standard SMILES
Cc1ccc(S(=O)(=O)OCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
KCONMNWPRXAWKK-UHFFFAOYSA-N- Molecular formula
- C20H26O8S2
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.10690979
Names & identifiers
- Preferred name
- Triethylene glycol di-p-tosylate
- IUPAC
- 2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
- English name
- Tri(Ethylene Glycol) DI-P-Toluenesulfonate
- Molecular formula
- C20H26O8S2
- Molecular weight
- 458.55
Names & synonyms
Triethylene Glycol Di-p-tosylateRefChem:899523Triethylene glycol di(ptoluenesulfonate)Ethanol, 2,2'(1,2ethanediylbis(oxy))bis, bis(4methylbenzenesulfonate)19249-03-7Tri(Ethylene Glycol) DI-P-Toluenesulfonate(Ethane-1,2-diylbis(oxy))bis(ethane-2,1-diyl) bis(4-methylbenzenesulfonate)Triethylene glycol ditosylateTriethylene glycol di(p-toluenesulfonate)Triethylene Glycol Bis(p-toluenesulfonate)MFCD00048096C20H26O8S2
Show more names
TSO-PEG3-OTS1,10-Ditosyl-1,4,7,10-tetraoxadecaneTRIETHYLGLYCOL DI-P-TOSYLATETos-PEG4-TosTos-PEG3-TosBis-Tos-PEG3CAS_19249-03-7
2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethyl 4-methylbenzenesulfonate2-[2-[2-(p-tolylsulfonyloxy)ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate2-(2-{2-[(4-methylbenzenesulfonyl)oxy]ethoxy}ethoxy)ethyl 4-methylbenzene-1-sulfonateNSC-244980Triethyleneglycol-di-p-toluenesulphonateEthanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, bis(4-methylbenzenesulfonate)ethane-1,2-diylbis(oxyethane-2,1-diyl) bis(4-methylbenzenesulfonate)Ethanol, 2,2'-(1,2-ethanediylbis(oxy))bis-, bis(4-methylbenzenesulfonate)
Database identifiers
- CAS
19249-03-7- PubChem CID
- 316652
- DTXSID
DTXSID40940911- ChEMBL
CHEMBL2179200- UNII
- PHX64WPG5J
- EC Number
- 628-844-0
- Nikkaji
- J211.394E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Other Organic Compounds
Physical DescriptionWhite powder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 78 · 78-82 °C(lit.)
- Boiling point
- 534.03 °C · 534.03°C (rough estimate)
- Density
- 1.3164 · 1.3164 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Soluble in ethanol.
- form
- powder to crystal
- color
- White to Almost white
- BRN
- 632509 · 632509
- InChI
- InChI=1S/C20H26O8S2/c1-17-3-7-19(8-4-17)29(21,22)27-15-13-25-11-12-26-14-16-28-30(23,24)20-9-5-18(2)6-10-20/h3-10H,11-16H2,1-2H3
- InChIKey
- KCONMNWPRXAWKK-UHFFFAOYSA-N
- SMILES
- C(OCCOS(C1=CC=C(C)C=C1)(=O)=O)COCCOS(C1=CC=C(C)C=C1)(=O)=O
- CAS DataBase Reference
- 19249 · 19249-03-7(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, bis(4-methylbenzenesulfonate) (19249-03-7)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 29093090 · 29093090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryAn irritant; [Sigma-Aldrich MSDS] See Triethylene glycol.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29093090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
DescriptionTos-PEG4-Tos is a PEG linker containing two tosyl groups. The hydrophilic PEG spacer increases solubility in aqueous media. The tosyl group is a very good leaving group for nucleophilic substitution reactions.
UsesTri(ethylene glycol) di-p-toluenesulfonate is used in the synthesis of 1-[4-(1,4,7,10-tetraoxa-13-aza-cyclopentadec-13-yl)-phenyl] ethanone.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
2 records
Compound notes
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