Articles:
benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
Notes:
Gives depth to fragrances. in contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis.
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| CAS Number: | 145-39-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 205-651-6 | |
| FDA UNII: | CMN65165X5 | |
| Nikkaji Web: | J12.977A | |
| Beilstein Number: | 2000732 | |
| MDL: | MFCD00024266 | |
| XlogP3-AA: | 4.30 (est) | |
| Molecular Weight: | 266.29726000 | |
| Formula: | C13 H18 N2 O4 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: information only not used for fragrances or flavors
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | pale yellow crystals (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 391.01 °C. @ 760.00 mm Hg (est) |
| Congealing Point: | 135.00 °C. |
| Vapor Pressure: | 0.000005 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 200.00 °F. TCC ( > 93.33 °C. ) |
| logP (o/w): | 4.931 (est) |
| Soluble in: | |
| benzyl benzoate, 27.4:100 | |
| diethyl phthalate, 13.7:100 | |
| dimethyl phthalate, 15.6:100 | |
| ethyl alcohol, 95% ,1.39:100 | |
| methyl carbitol, 5.4:100 | |
| water, 0.2946 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: musk | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 348 hour(s) at 20.00 % in benzyl benzoate |
| musk sweet powdery fatty | |
| Odor Description: at 10.00 % in benzyl benzoate. | musk ketone sweet powdery fatty Luebke, William tgsc, (1985) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
not used anymore |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 1-(tert-Butyl)-3,4,5-trimethyl-2,6-dinitrobenzene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 5-tert-Butyl-4,6-dinitro-1,2,3-trimethylbenzene |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 6000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 879, 1975. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 879, 1975. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| IFRA Critical Effect: | Insufficient data | ||
| IFRA: | View Standard | ||
| Recommendation for musk tibetene (Givaudan) usage levels up to: | |||
| PROHIBITED: Should not be used as a fragrance ingredient. | |||
| Recommendation for musk tibetene (Givaudan) flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 145-39-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 67350 |
| National Institute of Allergy and Infectious Diseases: | Data |
| SCCNFP: | opinion |
| WGK Germany: | 2 |
| 1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene | |
| Chemidplus: | 0000145391 |
References:
| 1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 145-39-1 |
| Pubchem (cid): | 67350 |
| Pubchem (sid): | 135023927 |
| Pherobase: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| amber | FR | |
| animal | FR | |
| clean | ||
| depth | ||
| fixer | ||
| moss | FR | |
| musk | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzene, 1- (1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro- | |
| benzene, 1-(1,1-dimethylethyl)-2,6-dinitro-3,4,5-trimethyl- | |
| benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro- | |
| benzene, 1-tert-butyl-2,6-dinitro-3,4,5-trimethyl- | |
| benzene, 1-tert-butyl-3,4,5-trimethyl-2,6-dinitro- | |
| 5-tert- | butyl-1,2,3-trimethyl-4,6-dinitrobenzene |
| 2-tert- | butyl-1,3-dinitro-4,5,6-trimethylbenzene |
| 1-tert- | butyl-3,4,5-trimethyl-2,6-dinitrobenzene |
| 5-tert- | butyl-4,6-dinitro-1,2,3-trimethyl benzene |
| 5-tert- | butyl-4,6-dinitro-1,2,3-trimethylbenzene |
| 1-(tert- | butyl)-3,4,5-trimethyl-2,6-dinitrobenzene |
| 1-(1,1- | dimethyl ethyl)-3,4,5-trimethyl-2,6-dinitrobenzene |
| 1-(1,1- | dimethylethyl)-3,4,5-trimethyl-2,6-dinitrobenzene |
| musk tibetene (Givaudan) | |
| musk tibetine | |
| tibetene musk |