Basic information
- CAS
69929-03-9- Standard SMILES
O=S(=O)(O)c1ccc(CCCCCCCCCCCCOCCCCCCCCCCCCc2ccc(S(=O)(=O)O)cc2)cc1- InChIKey
GVKNPAAMMMHEAR-UHFFFAOYSA-N- Molecular formula
- C36H58O7S2
- Average molar mass
- 667 g/mol
- Monoisotopic mass
- 666.36239653
Names & identifiers
- Preferred name
- Benzenesulfonic acid, 4,4'-oxybis[dodecyl-
- IUPAC
- 4-[12-[12-(4-sulfophenyl)dodecoxy]dodecyl]benzenesulfonic acid
Names & synonyms
Benzenesulfonic acid, 4,4'-oxybis(dodecyl-EINECS 274-218-14,4'-Oxybis(dodecylbenzenesulphonic) acidBenzenesulfonic acid, 4,4'-oxybis[dodecyl-1,1'-Oxybis(dodecyl-4-benzenesulfonic acid)4,4'-oxybis[dodecylbenzenesulphonic] acidRefChem:564354274-218-169929-03-9DTXSID80990197GVKNPAAMMMHEAR-UHFFFAOYSA-N4,4'-[Oxydi(dodecane-12,1-diyl)]di(benzene-1-sulfonic acid)
Database identifiers
- CAS
69929-03-9- PubChem CID
- 112346
- DTXSID
DTXSID80990197- EC Number
- 274-218-1
Properties
Computed structural properties
- XLogP
- 11.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 28
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 821
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
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4,4'-oxybis[dodecyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…