PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Butyne-1,4-diol, 2-; (1,4-Butynediol) | 110-65-6 |
6.00
15.01
4.01
15.02
4.08
4.05
7.01
8.00
7.00
11.00
|
||||||||||
| Formula | Synonyms | |||||||||||
| C4H6O2 | ||||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 86.09 | S | 50 | 238 | 25 | 1.115 @ 20°C |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 1.1 | 3.4 | 21 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.31 | 0.97 | 6.0 |
Technical Basis
A review of available sources identified the following: MAK-TWA, LCLo, and LD50 for intraperitoneal and oral 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 LCLo was scaled to a 60-minute equivalent using the ten Berge equation (Section 3.3.4). Although the LCLo is typically preferable according to the data hierarchy, the resulting TEEL value (~5 mg/m3) is on the order of the TEEL-1 and is an order of magnitude less that all other TEEL estimates. Due to this, and a higher statistical relevance (see Appendix A) the lowest oral LD50 was selected as the TEEL-3 basis. TEEL-2 values were calculated according to Table 3.5. The MAK-TWA was selected as the TEEL-1 basis.
• TEEL-1 = MAK-TWA (0.36 mg/m3) x 3
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (104 mg/kg)
The review generated TEEL values that are inconsistent with those in Rev. 29A. Although Rev. 29A and the current TEELs employ consistent methodology, the Rev. 29A TEEL-3 data was not found during current research and the current data results in a more conservative value. The TEEL-2 is more conservative, due to it derivation from this TEEL-3. The Rev. 29A and current TEEL-1 source are consistent, but calculations resulted in different values.
• TEEL-1 = MAK-TWA (0.36 mg/m3) x 3
• TEEL-2 = TEEL-3/6
• TEEL-3 = Rat oral LD50 (104 mg/kg)
The review generated TEEL values that are inconsistent with those in Rev. 29A. Although Rev. 29A and the current TEELs employ consistent methodology, the Rev. 29A TEEL-3 data was not found during current research and the current data results in a more conservative value. The TEEL-2 is more conservative, due to it derivation from this TEEL-3. The Rev. 29A and current TEEL-1 source are consistent, but calculations resulted in different values.
References
https://cameochemicals.noaa.gov/chemical/2746
https://onlinelibrary.wiley.com/doi/pdf/10.1002/9783527695539.oth1
Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS, 7(13), 1965; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 8066, 2-Butyne-1,4-diol. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/2-Butyne-1_4-diol.
Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. 649; Section 3.3 Non-Human Toxicity Values, retrieved from: https://pubchem.ncbi.nlm.nih.gov/source/hsdb/2004
Journal of Pharmacy and Pharmacology., 26(597), 1974 [PMID:4155724]; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 8066, 2-Butyne-1,4-diol. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/2-Butyne-1_4-diol.