Basic information
- CAS
41024-91-3- Standard SMILES
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1- InChIKey
BUHGDYPBQWWWQS-UHFFFAOYSA-N- Molecular formula
- C24H34O10S2
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.15933962
Names & identifiers
- Preferred name
- 3,6,9,12-Tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)
- IUPAC
- 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
- English name
- PENTA(ETHYLENE GLYCOL) DI-P-TOLUENESULFONATE
- Molecular formula
- C24H34O10S2
- Molecular weight
- 546.65
Names & synonyms
3,6,9,12-tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate)RefChem:487190628-055-141024-91-3Pentaethylene glycol di(p-toluenesulfonate)Pentaethylene glycol di-p-toluenesulfonatePentaethylene glycol ditosylateTos-PEG6-TosMFCD00012204NSC625453Tos-PEG5-Tos2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Show more names
TSO-PEG5-OTSBis-Tos-PEG5Pentaethylene glycol di(p<METHYL 3-(BENZYLTHIO)ISOPROPIONATEPENTA(ETHYLENE GLYCOL)DI-P-TOSYLATEPENTAETHYLENE GLYCOL DI-P-TOLUENESULPHONATEPENTA(ETHYLENE GLYCOL) DI-P-TOLUENESULFONATE
NSC 625453NSC-6254533,6,9,12-Tetraoxatetradecane-1,14-diol, bis(4-methylbenzenesulfonate)2-[2-[2-[2-[2-(p-tolylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate3,6,9,12-Tetraoxatetradecane-1,14-diol, 1,14-bis(4-methylbenzenesulfonate)CS-W004447DS-7474SY106518
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 19
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 694
Physicochemical properties
- Boiling point
- 661.4 · 661.4±55.0 °C(Predicted)
- Density
- 1.26 g/mL · 1.26 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.524(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Solid-Liquid Mixture
- color
- Off-white to light brown
- Water Solubility
- Not miscible or difficult to mix in water.
- Sensitive
- Hygroscopic
- BRN
- 3599245 · 3599245
- InChI
- InChI=1S/C24H34O10S2/c1-21-3-7-23(8-4-21)35(25,26)33-19-17-31-15-13-29-11-12-30-14-16-32-18-20-34-36(27,28)24-9-5-22(2)6-10-24/h3-10H,11-20H2,1-2H3
- InChIKey
- BUHGDYPBQWWWQS-UHFFFAOYSA-N
- SMILES
- C(OS(C1=CC=C(C)C=C1)(=O)=O)COCCOCCOCCOCCOS(C1=CC=C(C)C=C1)(=O)=O
- FDA UNII
- 7 STJ9FM34S · 7STJ9FM34S
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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- 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-PEG6-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.
UsesPENTA(ETHYLENE GLYCOL) DI-P-TOLUENESULFONATE is used to prepare calix[4]arenes,1 calix[5]arenes,2 and crown ethers.3
UsesPentaethylene glycol di-p-toluenesulfonate is used in the preparation of calix[4]arenes, calix[5]arenes, and crown ethers. It is also used in the preparation of 3-formylbenzo-18-crown-6 by undergoing coupling reaction with 2,3-dihydroxybenzaldehyde.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers94 total
山东玖玥生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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