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Na DDBS --- sodium dodecylbenzenesulfonate

cation structureanion structure
  
Identification codeInternal code for identification of an ionic liquid based on a short coding of the chemical structure and designed for use with this data base and in the UFT.Na DDBS
Chemical nameRational chemical name (according to CAS and uninverted).sodium dodecylbenzenesulfonate
Chemical name (IUPAC, en)sodium "dodecylbenzenesulfonate"
Name in Chemical AbstractsBenzenesulfonic acid, dodecyl-, sodium salt (1:1)
Comments on the identityThe anion is structurally undefined. The position of the alkyl chain on the ring is unknown and the length of the alkyl chain varies from C9-C13. Formula and molecular mass refer to the main component.
CAS-No.Number of a chemical substance in the Chemical Abstracts Service (CAS), which lists all chemicals published in chemical literature.2211-98-5
CAS-No. for the cation: 17341-25-2
CAS-No. for the anion: 1330-69-4
Beilstein Registry No.Number of a chemical substance in the Beilstein database (BRN).
EINECS or ELINCS-No.Number of a chemical substance in the Beilstein database (BRN).218-654-2
Formula (Hill system)Number of a chemical substance in the European Inventory of Existing Chemical Substances (EINECS), which lists all so-called old chemicals.C18H29NaO3S = Na + ?
Molecular mass348.476 = 348.476
SMILES-CodeThe molecular formula is given here according to the Hill system. First the C and H atoms are given. After that all other elements are given in alphabetical order.
(This system sometimes gives unusual notations for inorganic compounds.)
[Na+].[O-]S(=O)(=O)c1c([*])c([*])c([*])cc1
GHS pictograms
Signal word
Hazard classification
Hazard statements
Hazard statements (EU)
Precautionary statements
Hazard symbols
Risk phrasesR
Safety phrasesS
Effect factor
(German TRGS 600 of 2008)Simplified Molecular Input Line Entry System. An unambiguous short notation of chemical structures that is used for some chemical databases and for programs that predict properties of chemicals from their respective chemical structures.
500
Water pollution class: Dimensionless number (0-50000) determined by the method outlined in the German Technical Rules for Hazardous Substances (TRGS) 600 (Substitution). This method uses as input the known R phrases and the German threshold limit values. It also provides a classification of substances with incompletely determined or unknown toxic properties.
For comparison:
0 - water
5 - acetone
50 - toluene
100 - methanol
1000 - potassium cyanide
50000 - benzene
not assignable



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