WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 111512
CAS#: 91-08-7 (2,6 isomer)
Description: 2,6-TDI reacts with hydroxyl groups to form carbamate links in the production of rigid polyurethane foams. Toluene 2,6-diisocyanate is 4 times less reactive as toluene 2,4-diisocyanate.
MedKoo Cat#: 111512
Name: 2,6-TDI
CAS#: 91-08-7 (2,6 isomer)
Chemical Formula: C9H6N2O2
Exact Mass: 174.04
Molecular Weight: 174.16
Elemental Analysis: C, 62.07; H, 3.47; N, 16.09; O, 18.37
Related CAS #: 584-84-9 (2 4 isomer) 91-08-7 (2 6 isomer)
Synonym: Toluene 2,6-diisocyanate; 2,6-Diisocyanatotoluene; 2,6-TDI; HSDB 5272; Toluene-2,6-diisocyanate; 2,6-Toluene diisocyanate; Toluene 2,6 diisocyanate;
IUPAC/Chemical Name: 1,3-diisocyanato-2-methylbenzene
InChi Key: RUELTTOHQODFPA-UHFFFAOYSA-N
InChi Code: InChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
SMILES Code: CC1=C(N=C=O)C=CC=C1N=C=O
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
The following data is based on the product molecular weight 174.16 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: De Palma G, Cortesi I, Ghitti R, Festa D, Bergonzi R, Apostoli P. Biological monitoring as a valid tool to assess occupational exposure to mixtures of 2,4-:2,6-toluene diisocyanate. Med Lav. 2012 Sep-Oct;103(5):361-71. PMID: 23077796.
2: Gagne S, Lesage J, Ostiguy C, Cloutier Y, Van Tra H. Quantitative determination of hexamethylene diisocyanate (HDI), 2,4-toluene diisocyanate (2,4-TDI) and 2,6-toluene diisocyanate (2,6-TDI) monomers at ppt levels in air by alkaline adduct coordination ionspray tandem mass spectrometry. J Environ Monit. 2005 Feb;7(2):145-50. doi: 10.1039/b412078g. Epub 2004 Dec 10. PMID: 15690096.
3: Gagné S, Lesage J, Ostiguy C, Van Tra H. Determination of unreacted 2,4-toluene diisocyanate (2,4TDI) and 2,6-toluene diisocyanate (2,6TDI) in foams at ultratrace level by using HPLC-CIS-MS-MS. Analyst. 2003 Dec;128(12):1447-51. doi: 10.1039/b310463j. Epub 2003 Nov 11. PMID: 14737230.
4: Sennbro CJ, Lindh CH, Tinnerberg H, Gustavsson C, Littorin M, Welinder H, Jönsson BA. Development, validation and characterization of an analytical method for the quantification of hydrolysable urinary metabolites and plasma protein adducts of 2,4- and 2,6-toluene diisocyanate, 1,5-naphthalene diisocyanate and 4,4'-methylenediphenyl diisocyanate. Biomarkers. 2003 May-Aug;8(3-4):204-17. doi: 10.1080/1354750031000090660. PMID: 12944173.
5: Kääriä K, Hirvonen A, Norppa H, Piirilä P, Vainio H, Rosenberg C. Exposure to 2,4- and 2,6-toluene diisocyanate (TDI) during production of flexible foam: determination of airborne TDI and urinary 2,4- and 2,6-toluenediamine (TDA). Analyst. 2001 Jul;126(7):1025-31. doi: 10.1039/b102022f. PMID: 11478630.
6: Shiotsuka RN, Warren DL, Halliburton AT, Sturdivant DW. A comparative respiratory sensitization study of 2,4- and 2,6-toluene diisocyanate using guinea pigs. Inhal Toxicol. 2000 Jul;12(7):605-15. doi: 10.1080/08958370050030976. PMID: 10880147.
7: Day BW, Jin R, Basalyga DM, Kramarik JA, Karol MH. Formation, solvolysis, and transcarbamoylation reactions of bis(S-glutathionyl) adducts of 2,4- and 2,6-diisocyanatotoluene. Chem Res Toxicol. 1997 Apr;10(4):424-31. doi: 10.1021/tx960201+. PMID: 9114980.
8: Lind P, Dalene M, Skarping G, Hagmar L. Toxicokinetics of 2,4- and 2,6-toluenediamine in hydrolysed urine and plasma after occupational exposure to 2,4- and 2,6- toluene diisocyanate. Occup Environ Med. 1996 Feb;53(2):94-9. doi: 10.1136/oem.53.2.94. PMID: 8777457; PMCID: PMC1128420.
9: Skarping G, Dalene M, Lind P. Determination of toluenediamine isomers by capillary gas chromatography and chemical ionization mass spectrometry with special reference to the biological monitoring of 2,4- and 2,6-toluene diisocyanate. J Chromatogr A. 1994 Mar 11;663(2):199-210. doi: 10.1016/0021-9673(94)85246-4. PMID: 8173666.
