PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Bis(3-tert-butyl-4-hydroxy-6-methylphenyl) sulfide; (4,4'-Thiobis(6-tert-butyl-m-cresol)) | 96-69-5 |
15.01
11.01
15.02
4.07
3.09
3.02
3.10
3.07
12.00
5.10
|
||||||||||
| Formula | Synonyms | |||||||||||
| C22H30O2S | 4,4^-THIOBIS(6-TERT-BUTYL-M-CRESOL), 1,1'-THIOBIS(2-METHYL-4-HYDROXY-5-TERT-BUTYL)BENZENE, 1,1'-THIOBIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLBENZENE), 2,2'-DI-TERT-BUTYL-5,5'-DIMETHYL-4,4'-THIODIPHENOL, 4,4'-THIOBIS(2-TERT-BUTYL-5-METHYLPHENOL), 4,4'-THIOBIS(3-METHYL-6-TERT-BUTYLPHENOL), 4,4'-THIOBIS(6-T-BUTYL-M-CRESOL), 4,4'-THIOBIS(6-TERT-BUTYL-3-METHYLPHENOL), 4,4'-THIOBIS[2-TERT-BUTYL-5-METHYLPHENOL], 4,4'-THIOBIS[3-METHYL-6-TERT-BUTYLPHENOL], 4,4'-THIOBIS[6-TERT-BUTYL-3-METHYLPHENOL], 4,4'-THIOBIS[6-TERT-BUTYL-M-CRESOL], ANTAGE CRYSTAL, ANTIOXIDANT AO, ANTIOXIDANT TMB 6, AO 4, BIS(2-METHYL-4-HYDROXY-5-TERT-BUTYLPHENYL) SULFIDE, BIS(2-METHYL-5-TERT-BUTYL-4-HYDROXYPHENYL) SULFIDE, BIS(3-TERT-BUTYL-4-HYDROXY-6-METHYLPHENYL) SULFIDE, BIS(4-HYDROXY-5-TERT-BUTYL-2-METHYLPHENYL) SULFIDE, DISPERSE MB 61, DISPERSE MB-61, LOWINOX TBM 6, M-CRESOL, 4,4'-THIOBIS[6-TERT-BUTYL-, N 300, NOCRAC 300, NONFLEX BPS, NONFLEX BPS-R, SANTONOX, SANTONOX BM, SANTONOX R, SANTOWHITE CRYSTAL, SANTOWHITE CRYSTALS, SANTOX, SEENOX BCS, SUMILIZER WX, SUMILIZER WX-R, SUMILIZER WX-RC, THIOALKOFEN BM, THIOALKOFEN BM 4, THIOALKOFEN BM4, THIOALKOFEN BMCH, THIOALKOFEN MBCH, THIOALKOPHENE BM-4, USAF B-15, YOSHINOX S, YOSHINOX SR, ZBX 1R | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 358.5378 | S | 150 | 1.10 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 20 | 77 | 460 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 1.4 | 5.3 | 31 |
Technical Basis
A review of available sources identified exposure limits (STELs, TWAs) and acute toxicity data (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 most preferred species and route toxicity data, a rat oral LD50, as the TEEL-3 basis. The TEEL-2 value was derived according to Table 3.5. The OEL-STEL (UK, 15-minute) was selected as the TEEL-1.
• PAC-1 = TEEL-1 = OEL-STEL (20 mg/m3)
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (2345 mg/kg)
This review generated a PAC-3 value consistent with Rev. 29A and inconsistent PAC-2 and PAC-1 values. The Rev. 29A and current TEEL-3 source and methodology are consistent. The Rev. 29A TEEL-2 basis was a rat oral TDLo not found during the current review; instead, the current TEEL-2 was derived from the TEEL-3. The Rev. 29A TEEL-1 was a TLV-TWA, while the current TEEL-1 is an OEL-STEL (Table 3.5, see Note).
• PAC-1 = TEEL-1 = OEL-STEL (20 mg/m3)
• PAC-2 = TEEL-2 = TEEL-3/6
• PAC-3 = TEEL-3 = Rat oral LD50 (2345 mg/kg)
This review generated a PAC-3 value consistent with Rev. 29A and inconsistent PAC-2 and PAC-1 values. The Rev. 29A and current TEEL-3 source and methodology are consistent. The Rev. 29A TEEL-2 basis was a rat oral TDLo not found during the current review; instead, the current TEEL-2 was derived from the TEEL-3. The Rev. 29A TEEL-1 was a TLV-TWA, while the current TEEL-1 is an OEL-STEL (Table 3.5, see Note).
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/7308
OELs (STEL and TWA): https://ilv.ifa.dguv.de/limitvalues/18112
Rat LD50. International Polymer Science and Technology., 3(93), 1976. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/7308