n-Octyl p-Toluenesulfonate
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Basic information
- CAS
3386-35-4- Standard SMILES
CCCCCCCCOS(=O)(=O)c1ccc(C)cc1- InChIKey
LYQJBZLAANNIER-UHFFFAOYSA-N- Molecular formula
- C15H24O3S
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.14461563
Names & identifiers
- Preferred name
- n-Octyl p-Toluenesulfonate
- IUPAC
- octyl 4-methylbenzenesulfonate
- English name
- p-Toluenesulfonic acid n-octyl ester
- Molecular formula
- C15H24O3S
- Molecular weight
- 284.41
Names & synonyms
3386-35-4n-Octyl p-ToluenesulfonateDTXSID70344766RefChem:1092037DTXCID30295841Octyl 4-methylbenzenesulfonatep-Toluenesulfonic Acid n-Octyl Esteroctyl p-toluenesulfonateMFCD00059447octyl 4-methylbenzene-1-sulfonatep-Toluenesulfonic acid octyl4-Methylbenzenesulfonic acid octyl
Show more names
p-Toluenesulfonic acid octyl ester
n-Octyl-p-toluolsulfonatToluenesulfonicacidoctylester4-METHYLBENZENESULFONIC ACID OCTYL ESTEROctyl4-methylbenzenesulfonateSCHEMBL345885C15H24O3SOctyl 4-methylbenzenesulfonate #p-toluenesulfonicacidn-octylester95+%
Database identifiers
- CAS
3386-35-4- PubChem CID
- 599296
- DTXSID
DTXSID70344766- Nikkaji
- J46.985H
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 170 °C · 170 °C(Press: 0.8 Torr)
- Density
- 1.06 · 1.06
- refractive index
- 1.495 to · 1.4950 to 1.4980
- storage temp.
- Store at room temperature
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- HS Code
- 2904.1 · 2904.10.3700
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2904.10.3700
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
8 records
Compound notes
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