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| CAS No.: | 25155-30-0 |
|---|---|
| Name: | Sodium dodecylbenzenesulphonate |
| Molecular Structure: | |
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| Formula: | C18H29NaO3S |
| Molecular Weight: | 348.482 |
| Synonyms: | Benzenesulfonicacid, dodecyl-, sodium salt (8CI,9CI);35SL;A 1-1575;Calsoft90F;Conco AAS 35H;Conco AAS 45S;DBS 60;DS 60;DSB;Deterlon;Deterlon A;Dodecylbenzenesulfonic acid sodium salt;Elecut S 412;Emulin B 22;F 90;F 90(sulfonic acid);HS 85S;Lavagion;Lipon PS 260;Maranil 55;ABS;AKS 518-2M;Abeson NAM;Anstex MJ 420;BN2060;Bio-Soft D 35X;Bio-Soft D 40RC;Bio-Soft LAS 40S;Biosoft 40S;Dobanic 560;KB;Maranil A 55;Nansa 1169P;Nansa 1260;Nansa HS 90S;Marlon 375A;Marlon A 350;Marlon A 375;Marlon ARL;Maranil Paste A 55;Neogen SC;Neopelex 05;Neopelex 6;Neopelex F 60;Neopelex G 15;Neopelex G 65;Sodium dodecylbenzenesulphonate; |
| EINECS: | 246-680-4 |
| Density: | 1.02 g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 660.62℃[at 101 325 Pa] |
| Solubility: | 800mg/L at 25℃ |
| Appearance: | white or light yellow flakes |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-27-36/37/39 |
| PSA: | 65.58000 |
| LogP: | 6.13490 |
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Consensus Reports
Reported in EPA TSCA Inventory.
Specification
The Sodium dodecylbenzenesulphonate, with the CAS registry number 25155-30-0, is also known as Sodium 4 dodecylbenzenesulphonate; Dodecylbenzenesulfonic acid sodium salt.It belongs to the product categories of Anionic Surfactants;Sulfonate (Surfactants);Functional Materials;Surfactants. Its EINECS number is 246-680-4.This chemical's molecular formula is C18H29NaO3S and molecular weight is 348.48. What's more,Its systematic name is Benzenesulfonic acid, dodecyl-, sodium salt. Sodium dodecylbenzenesulfonate is a white to light yellow flakes, granules or powder. It is soluble in water; incompatible with strong oxidizers. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Sodium dodecylbenzenesulphonate is used as a synthetic detergent.
Physical properties about Sodium dodecylbenzenesulphonate are:
(1)ACD/LogP: 6.775; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.28; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 26.33; (6)ACD/BCF (pH 7.4): 26.24; (7)ACD/KOC (pH 5.5): 36.65; (8)ACD/KOC (pH 7.4): 36.52; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12.
Safety information of Sodium dodecylbenzenesulphonate:
The Sodium dodecylbenzenesulphonate is harmful if swallowed,risk of serious damage to eyes .It is irritating to respiratory system and skin. when you use it ,wear suitable protective clothing, gloves and eye/face protection.In case of contact with eyes, take off immediately all contaminated clothing ,rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES:[Na+].[O-]S(=O)(=O)c1ccc(cc1)CCCCCCCCCCCC;
(2)Std. InChI:InChI=1S/C18H30O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;/h13-16H,2-12H2,1H3,(H,19,20,21);/q;+1/p-1;
(3)Std. InChIKey:JHJUUEHSAZXEEO-UHFFFAOYSA-M.
The toxicity data of Sodium dodecylbenzenesulphonate as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 105mg/kg (105mg/kg) | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 38, Pg. 428, 1949. | |
| mouse | LD50 | oral | 1330mg/kg (1330mg/kg) | PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Kenkyu Nenpo--Tokyo-toritsu Eisei Kenkyusho. Annual Report of Tokyo Metropolitan Research Laboratory of Public Health. Vol. 24, Pg. 397, 1972. |
| rat | LD50 | oral | 438mg/kg (438mg/kg) | SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Kenkyu Nenpo--Tokyo-toritsu Eisei Kenkyusho. Annual Report of Tokyo Metropolitan Research Laboratory of Public Health. Vol. 24, Pg. 397, 1972. |