4-(10-Methylundecyl)benzenesulfonic acid
Basic information
- CAS
68411-32-5- Standard SMILES
CC(C)CCCCCCCCCc1ccc(S(=O)(=O)O)cc1- InChIKey
NLIZZNXFRGDAMS-UHFFFAOYSA-N- Molecular formula
- C18H30O3S
- Average molar mass
- 326.5 g/mol
- Monoisotopic mass
- 326.19156599
Names & identifiers
- Preferred name
- 4-(10-Methylundecyl)benzenesulfonic acid
- IUPAC
- 4-(10-methylundecyl)benzenesulfonic acid
- English name
- Benzenesulfonic acid, dodecyl-, branched
- Molecular weight
- 0
Names & synonyms
4-(10-methylundecyl)benzenesulfonic acidSCHEMBL9927244DTXSID20869151NLIZZNXFRGDAMS-UHFFFAOYSA-N4-(10-Methylundecyl)benzene-1-sulfonic acidBABSABranched alkyl benzene sulfonic acidBRANCHED DODECYLBENZENE SULFONIC ACIDdodecyl-benzenesulfonic acid branched4-(10-methylundecyl)benzenesulfonicaciC12 Branched alkylbenzenesulfonic acidBenzenesulfonic acid, dodecyl-, branched
Database identifiers
- CAS
68411-32-5- PubChem CID
- 110200
- DTXSID
DTXSID20869151
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- EPA Substance Registry System
- Benzenesulfonic acid, dodecyl-, branched (68411-32-5)
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H411
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- RIDADR
- 2586 · 2586
- TSCA
- TSCA listed
- HazardClass
- 8 · 8
- PackingGroup
- III
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
- tsca
- TSCA listed
- ridadr
- 2586
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- hazard_class
- 8
- packing_group
- III
- Hazard statements
- H302-H314-H411
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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