| Melting point |
235.4°C |
| Boiling point |
438.78°C (rough estimate) |
| Density |
1.3226 (rough estimate) |
| refractive index |
1.5290 (estimate) |
| Flash point |
2 °C |
| storage temp. |
2-8°C |
| solubility |
Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form |
Solid |
| color |
White to Pale Yellow |
| Odor |
at 10.00 % in benzyl benzoate. fatty dry sweet soapy musk |
| Odor Type |
musk |
| BRN |
2015910 |
| Henry's Law Constant |
3.2×10-1 mol/(m3Pa) at 25℃, Lee et al. (2012) |
| Major Application |
environmental |
| Cosmetics Ingredients Functions |
FRAGRANCE
PERFUMING |
| InChI |
1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3 |
| InChIKey |
XMWRWTSZNLOZFN-UHFFFAOYSA-N |
| SMILES |
Cc1c(c(C)c(c(c1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O |
| LogP |
4.369 (est) |
| CAS DataBase Reference |
81-15-2(CAS DataBase Reference) |
| IARC |
3 (Vol. 65) 1996 |
| NIST Chemistry Reference |
2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene(81-15-2) |
| EPA Substance Registry System |
2,4,6-Trinitro-5-tert-butyl-m-xylene (81-15-2) |
