PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Dodecylbenzene sulfonic acid; (Laurylbenzenesulfonic acid) | 27176-87-0 | 2584 |
14.01
4.01
11.01
14.02
4.08
11.00
4.07
5.10
|
|||||||||
| Formula | Synonyms | |||||||||||
| C18H30O3S | DODECYLBENZENESULFONIC ACID, ABS 100, ACIDE DODÉCYLBENZÈNESULFONIQUE (DOT FRENCH), ACIDO DODECILBENCENSULFÓNICO (DOT SPANISH), BIO-SOFT S 100, BIOSOFT S 126, CALSOFT LAS 99, CAT 6000, CATALYST 600, CATALYST 6000, CONOCO SA 597, CYCAT 600, DBS, DODECYLBENZENESULPHONIC ACID, E 7256, ELFAN WA SULPHONIC ACID, LAS 99, LAURYLBENZENESULFONIC ACID, MARLON AS 3, N-DODECYLBENZENESULFONIC ACID, NACCONOL 988 A, NACCONOL 98SA, NACURE 5074, NACURE 5076, NANSA 1042, NANSA 1042P, NANSA SSA, P 3 VETRALAT, POLYSTEP A 13, RICHONIC ACID B, SULFOSOFT, SULFRAMIN 1298, SULFRAMIN ACID 1298 | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 326.54 | 1 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 3.2 | 36 | 210 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.24 | 2.7 | 16 |
Technical Basis
A review of available sources identified acute toxicity data (LC50, LD50) for several species and routes. Data sources were selected according to the hierarchy listed in Table 3.1. Toxicity data were selected according to type of exposure, species, and route according to the hierarchies stated in Sections 3.3.1, 3.3.2, and evaluated using factors in Tables 3.2, 3.3, and 3.4. The LC50 source was evaluated and not selected due to the note “the use of this study beyond establishing relative toxicity of the chemical is limited.” Instead, analysts evaluated several rat LD50 sources. The results of a study reporting an LD50 = 650 mg/kg is contradicted by the results of a study that reported no deaths at a higher dose (775 mg/kg). Another study reported a wide range (LD50 = 500-2000 mg/kg). Considering this, analysts selected the study that is bounded by the upper limit of the range (2000 mg/kg) and the lower limit, the study with no reported deaths (775 mg/kg), a rat oral LD50 of 1080 mg/kg as the TEEL-3 basis. TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• PAC-1 = TEEL-1 = TEEL-2/11
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (1080 mg/kg)
This review generated PAC values inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was the rat oral LD50 of 650 mg/kg, while the current TEEL-3 basis is a less conservative rat oral LD50 of 1080 mg/kg that was selected after evaluating all available rat oral LD50. The Rev. 29A and current TEEL-2 and TEEL-1 values use the same methodology, with differences due to the change in TEEL-3.
• PAC-1 = TEEL-1 = TEEL-2/11
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (1080 mg/kg)
This review generated PAC values inconsistent with Rev. 29A. The Rev. 29A TEEL-3 basis was the rat oral LD50 of 650 mg/kg, while the current TEEL-3 basis is a less conservative rat oral LD50 of 1080 mg/kg that was selected after evaluating all available rat oral LD50. The Rev. 29A and current TEEL-2 and TEEL-1 values use the same methodology, with differences due to the change in TEEL-3.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Dodecylbenzenesulfonic-acid
Molecular weight retrieved from: https://www.chemicalbook.com/ChemicalProductProperty_EN_CB2310468.htm
Rat oral LD50: https://chem.echa.europa.eu/100.043.885/dossier-view/b86b01ed-7437-49ae-a0ad-a810157316ec/05953da6-c213-48d0-adbb-f58229328240_29bb8615-77a2-41c1-aa3b-3cbe9785a552?searchText=27176-87-0. See 7.2.1, Key Experimental study 002 (LD50 = 650 mg/kg), Key Experimental study 004 (LD50 = 500-2000 mg/kg), Key Experimental study 006 (LD50 = 775 mg/kg), and Key Experimental study 008 (LD50 = 1080 mg/kg).