Basic information
- CAS
31169-63-8- Standard SMILES
CCCCCCCCCCCCCCCS(=O)(=O)O- InChIKey
TWBKZBJAVASNII-UHFFFAOYSA-N- Molecular formula
- C15H32O3S
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.20721605
Names & identifiers
- Preferred name
- 1-Pentadecanesulfonic acid
- IUPAC
- pentadecane-1-sulfonic acid
- English name
- pentadecane-1-sulphonic acid
- Molecular formula
- C15H32O3S
- Molecular weight
- 292.48
Names & synonyms
1-Pentadecanesulfonic acid31169-63-8X458EF24JWEINECS 250-501-5UNII-X458EF24JWDTXSID1067598RefChem:76868DTXCID8038306250-501-5pentadecane-1-sulfonic acidPentadecane-1-sulphonic acidSCHEMBL150843
Show more names
SCHEMBL4269533SCHEMBL4876486TWBKZBJAVASNII-UHFFFAOYSA-NNS00050682
Database identifiers
- CAS
31169-63-8- PubChem CID
- 79998
- DTXSID
DTXSID1067598- UNII
- X458EF24JW
- EC Number
- 250-501-5
- Nikkaji
- J278.062C
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 1.84 · 1.84±0.50(Predicted)
- FDA UNII
- 458 EF24JW · X458EF24JW
- EPA Substance Registry System
- 1 · 1-Pentadecanesulfonic acid (31169-63-8)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (5 of 5) of all reports.
Not Classified
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Pentadecanesulfonic acid: INACTIVE
Suppliers1 total
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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