PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Valinomycin | 2001-95-8 |
15.01
4.05
7.01
11.00
4.07
|
||||||||||
| Formula | Synonyms | |||||||||||
| C54.H90.N6.O18 | VALINOMYCIN, 1,7,13,19,25,31-HEXAOXA-4,10,16,22,28,34-HEXAAZACYCLOHEXATRI, 1,7,13,19,25,31-HEXAOXA-4,10,16,22,28,34-HEXAAZACYCLOHEXATRI, ANTIBIOTIC N-329 B, CYCLO(D-ALPHA-HYDROXYISOVALERYL-D-VALYL-L-LACTOYL-L-VALYL-D-, NSC 122023, VALINOMICIN | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 1111.5 | S | 187 | 0.00001 | 25 |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.012 | 0.13 | 0.79 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.00026 | 0.0029 | 0.017 |
Technical Basis
A review of available sources identified a LOC 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, was selected as the TEEL-3 basis. The LOC was considered as a TEEL-2 but was not selected due to it resulting in a TEEL-2 > TEEL-3. Available toxicity data supports this more conservative approach. TEEL-2 and TEEL-1 values were derived according to Table 3.5.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (4 mg/kg)
This review generated TEEL values that are inconsistent with Rev. 29A. The Rev. 29A TEEL-2 was the LOC, with TEEL-3 values derived from the TEEL-2. The current TEEL-3 basis is a rat oral LD50; the TEEL-2 was derived from this TEEL-3. The Rev. 29A and current TEEL-1 use the same methodology, with differences due to the change in TEEL-2.
• TEEL-1 = TEEL-2/11
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (4 mg/kg)
This review generated TEEL values that are inconsistent with Rev. 29A. The Rev. 29A TEEL-2 was the LOC, with TEEL-3 values derived from the TEEL-2. The current TEEL-3 basis is a rat oral LD50; the TEEL-2 was derived from this TEEL-3. The Rev. 29A and current TEEL-1 use the same methodology, with differences due to the change in TEEL-2.
References
Chemical information: https://pubchem.ncbi.nlm.nih.gov/compound/3000706
Rat LD50. Drug and Chemical Toxicology., 8(451), 1985 [PMID:4092618]. Retrieved from: https://pubchem.ncbi.nlm.nih.gov/compound/3000706
LOC. Appendix C, pg. C-9. https://www.epa.gov/sites/default/files/2015-09/documents/technical_guidance_for_hazard_analysis.pdf