Basic information
- CAS
3386-32-1- Standard SMILES
CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(C)cc1- InChIKey
IZSBVVGANRHKEE-UHFFFAOYSA-N- Molecular formula
- C25H44O3S
- Average molar mass
- 424.7 g/mol
- Monoisotopic mass
- 424.30111643
Names & identifiers
- Preferred name
- Octadecyl p-Toluenesulfonate
- IUPAC
- octadecyl 4-methylbenzenesulfonate
- English name
- p-Toluenesulfonic acid n-octadecyl ester
- Molecular formula
- C25H44O3S
- Molecular weight
- 424.68
Names & synonyms
3386-32-1Octadecyl p-ToluenesulfonateDTXSID80281870RefChem:1093765DTXCID10233024Octadecyl 4-methylbenzenesulfonatep-Toluenesulfonic acid n-octadecyl esterMFCD00191588octadecyl-p-toluenesulfonateNSC23315NSC-23315CS-0196439
Show more names
STEARYL P-TOLUENESULFONATEN-OCTADECYL P-TOLUENESULFONATEOctadecyl4-methylbenzenesulfonateP-TOLUENESULFONIC ACID N-OCTADECYLP-TOLUENESULFONIC ACID STEARYL ESTER
E78945Benzenesulfonic acid, 4-methyl-, octadecyl esterp-Toluenesulfonic Acid Octadecyl EsterToluenesulfonicacidoctadecylesteroctadecyl 4-methylbenzene-1-sulfonatep-Toluenesulfonic acid, octadecyl esterstearyl-p-toluenesulfonateFT-0634815
Database identifiers
- CAS
3386-32-1- PubChem CID
- 229551
- DTXSID
DTXSID80281870- Nikkaji
- J534.188D
Properties
Computed structural properties
- XLogP
- 10.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 19
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Melting point
- 58 °C · 58 °C
- Boiling point
- 521.2 · 521.2±19.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- form
- powder to crystal
- color
- White to Almost white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2904.1 · 2904.10.5000
Safety & regulation
Safety data
- hs_code
- 2904.10.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesUsed as intermediate of squalane alcohol.
Preparation methods
Preparationp-Toluenesulfonate is synthesized by esterification of n-octadecanol and p-toluenesulfonyl chloride with pyridine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers47 total
河北凡博医药科技有限公司15588346797
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司
Related reactions
4 records
Compound notes
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