PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Thiobis(4-chloro-6-methyl)phenol, 2,2’- | 4418-66-0 |
4.05
7.01
4.06
11.00
4.07
|
||||||||||
| Formula | Synonyms | |||||||||||
| C14.H12.Cl2.O2.S | PHENOL, 2,2^-THIOBIS-4-CHLORO-6-METHYL-, 2,2'-DIHYDROXY-3,3'-DIMETHYL-5,5'-DICHLORODIPHENYL SULFIDE, 2,2'-THIOBIS(4-CHLORO-6-METHYLPHENOL), CHLORBISAN, O-CRESOL, 6,6'-THIOBIS[4-CHLORO-, ORBISAN, ORBISAN 1/3, PHENOL, 2,2'-THIOBIS[4-CHLORO-6-METHYL- | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 315.22 | S | 443 | 0.0000001 | 25 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.0039 | 0.043 | 0.26 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.00030 | 0.0033 | 0.020 |
Technical Basis
A review of available sources identified rat LD50 toxicity data for oral and intraperitoneal routes, and a Level of Concern (LOC). 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 data of the most preferred route, a rat oral LD50, was selected as the TEEL-3 basis. The LOC was evaluated as the TEEL-2, however it was not selected because 1) acute toxicity data indicate available for TEEL-3 indicated the LOC is not sufficiently conservative, resulting in a TEEL-2 > TEEL-3, and 2) the LOC basis could not be determined (Section 3.3.2). TEEL-1 and TEEL-2 values were derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (1300 µg/kg)
This review generated TEEL values that are inconsistent with Rev. 29A. In Rev. 29A the TEEL-3 was derived from the TEEL-2, the LOC, however this review found and used a rat oral LD50 as the TEEL-3 basis and derived the TEEL-2 according to Table 3.5. The TEEL-1 methodology remains consistent, with the difference in values due to the change in the TEEL-2 basis.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (1300 µg/kg)
This review generated TEEL values that are inconsistent with Rev. 29A. In Rev. 29A the TEEL-3 was derived from the TEEL-2, the LOC, however this review found and used a rat oral LD50 as the TEEL-3 basis and derived the TEEL-2 according to Table 3.5. The TEEL-1 methodology remains consistent, with the difference in values due to the change in the TEEL-2 basis.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/Chlorbisan
Rat oral LD50: Pesticide Chemicals Official Compendium, Association of the American Pesticide Control Officials, Inc., 1966., -(224), 1966. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/Chlorbisan
LOC: Retrieved from Appendix C (page C-7) as Phenol, 2,2'-Thiobis (4-Chloro-6-Methyl)-; https://www.epa.gov/sites/default/files/2015-09/documents/technical_guidance_for_hazard_analysis.pdf