PAC Database - Detailed Chemical Data
Chemical Identity
| Chemical | CAS# | UN# | Health Code Numbers | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Isophorone diisocyanate | 4098-71-9 | 2290 |
14.01
14.02
11.00
9.00
8.00
11.01
4.07
10.00
3.10
5.00
|
|||||||||
| Formula | Synonyms | |||||||||||
| C12H18N2O2 | ISOPHORONE DIISOCYANATE, 1,3,3-TRIMETHYL-1-(ISOCYANATOMETHYL)-5-ISOCYANATOCYCLOHEXANE, 1-(ISOCYANATOMETHYL)-5-ISOCYANATO-1,3,3-TRIMETHYLCYCLOHEXANE, 1-ISOCYANATO-3,3,5-TRIMETHYL-5-(ISOCYANATOMETHYL)CYCLOHEXANE, 1-ISOCYANATO-3-(ISOCYANATOMETHYL)-3,5,5-TRIMETHYLCYCLOHEXANE, 1-ISOCYANATO-5-(ISOCYANATOMETHYL)-3,3,5-TRIMETHYLCYCLOHEXANE, 3,3,5-TRIMETHYL-5-(ISOCYANATOMETHYL)CYCLOHEXYL ISOCYANATE, 3-(ISOCYANATOMETHYL)-3,5,5-TRIMETHYLCYCLOHEXYL ISOCYANATE, 3-ISOCYANATOMETHYL-3,5,5- TRIMETHYLCYCLOHEXYLISOCYANATE, 3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYL-ISOCYANATE, 3-ISOCYANATOMETHYL-3,5,5-TRIMETHYLCYCLOHEXYLISOCYANATE, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYL CYCLOHEXAN, 5-ISOCYANATO-1-(ISOCYANATOMETHYL)-1,3,3-TRIMETHYLCYCLOHEXANE, CYCLOHEXANE, 5-ISOCYANATO- 1-(ISOCYANATOMETHYL)-1,3,3-TRIMET, DIIP (DOT FRENCH), DIISOCYANATE D^ISOPHORONE (DOT FRENCH), IPDI, IPDI (DOT SPANISH), ISOCYANIC ACID, METHYLENE(3,5,5-TRIMETHYL-3,1-CYCLOHEXYLENE), ISOFORONDIISOCIANATO (DOT SPANISH), ISOPHORONE DIAMINE DIISOCYANATE | |||||||||||
Physical Properties
| Mol Wt | State | MP (°C) | BP (°C) | VP (Hg) | VP (°C) | SG | LEL (ppm) |
|---|---|---|---|---|---|---|---|
| 222.32 | S | -60 | 360 | 0.00001 | 25 | 1.062 @ 20°C |
PAC Values
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.18 | 1.2 | 5.4 |
| PAC-1 | PAC-2 | PAC-3 |
|---|---|---|
| 0.020 | 0.13 | 0.59 |
Technical Basis
A review of available sources identified the following: MAK-TWA, PEL-STEL, REL-STEL, LOC, LD50, and LC50. 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 was scaled to a 60-minute equivalent using the ten Berge equation (Section 3.3.4). The rat 4-hr LC50 was the most preferred toxicity data and was selected as the TEEL-3 basis. The LOC was selected as the TEEL-2. The STEL was selected as the TEEL-1.
• TEEL-1 = REL/PEL-STEL (0.02 ppm)
• TEEL-2 = LOC (0.00123 g/m3)
• TEEL-3 = Rat 4-hr LC50 (123 mg/m3)
This review generated TEEL values that are consistent with those in Rev. 29A.
• TEEL-1 = REL/PEL-STEL (0.02 ppm)
• TEEL-2 = LOC (0.00123 g/m3)
• TEEL-3 = Rat 4-hr LC50 (123 mg/m3)
This review generated TEEL values that are consistent with those in Rev. 29A.
References
https://cameochemicals.noaa.gov/chemical/3693
https://onlinelibrary.wiley.com/doi/pdf/10.1002/9783527695539.oth1
https://www.osha.gov/chemicaldata/369
Appendix C, pg. C-5; https://www.epa.gov/sites/default/files/2015-09/documents/technical_guidance_for_hazard_analysis.pdf
Documentation of the Threshold Limit Values and Biological Exposure Indices, 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986, 5,334(86),1986; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 169132, Isophorone diisocyanate. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/Isophorone-diisocyanate
National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information., OTS0530238; National Center for Biotechnology Information (2023). PubChem Compound Summary for CID 169132, Isophorone diisocyanate. Retrieved from https://pubchem.ncbi.nlm.nih.gov/compound/Isophorone-diisocyanate