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| IUPAC name : | 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene |
| InChI : | InChI=1/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3 |
| InChIKey : | SUAUILGSCPYJCS-UHFFFAOYAG |
| SMILES : | CC1=C(C=C(C(=C1[N+](=O)[O-])OC)C(C)(C)C)[N+](=O)[O-] |
| (EINECS) number : | 201-493-7 |
| cas number : | 83-66-9 |
| beilstein number : | 1889437 |
| coe number : | 495 |
| molar refractivity : | 69.23 ± 0.3 cm3 |
| parachor : | 560.5 ± 4.0 cm3 |
| index of refraction : | 1.541 ± 0.02 |
| surface tension : | 42.0 ± 3.0 dyne/cm |
| density : | 1.218 ± 0.06 g/cm3 |
| polarizability : | 27.44 ± 0.5 10-24cm3 |
| xlogp : | 3.60 |
| molecular weight : | 268.2658400 |
| formula : | C12 H16 N2 O5 |
| BioActivity Analysis : | 99570 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | musk |
| odor strength : | medium |
odor description :
at 10.00 % in benzyl benzoate. | musty sweet ambrette seed |
| substantivity : | 400 Hour(s) |
| properties : | |
| appearence : | pale yellow powder |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 85.00 °C. @ 760.00 mm Hg
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| logp : | 3.71 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 220.00 °F. TCC ( > 104.44 °C. )
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| IFRA critical Effect : | Photosensitization and neurotoxicity |
| recommendation for musk ambrette usage levels up to : |
| | PROHIBITED : Should not be used as a fragrance ingredient.
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| recommendation for musk ambrette usage levels up to : |
| | not for flavor use.
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| safety links : | |
| (EINECS) number : | 201-493-7 |
| chemidplus : | 000083669 |
| epa-srs : | 83-66-9 |
| dtp/nci : | 46122 |
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| ifra : | ifra - ( Found under : Musk ambrette ) |
| other : | |
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| references : | |
| pubchem : | 149736 |
| NIST Chemistry WebBook : | 212525399 |
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