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musk tibetene (Givaudan)
benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-

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Name:1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene
CAS Number: 145-39-1Picture of molecule3D/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 sample from: Givaudan Corporation
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
Penta International
MUSK TIBETENE
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: 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
Env. Mutagen Info. Center: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 2009
(IUPAC):Atomic Weights of the Elements 2009 (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:
FRamber
FRanimal
 clean
 depth
 fixer
FRmoss
FRmusk
FRwoody
 
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
 

Articles:

PubMed:Analysis of 7 synthetic musks in cream by supported liquid extraction and solid phase extraction followed by GC-MS/MS.
PubMed:Analysis of plasticizers and synthetic musks in cosmetic and personal care products by matrix solid-phase dispersion gas chromatography-mass spectrometry.
PubMed:Photochemical behaviour of musk tibetene. A chemical and kinetic investigation.
PubMed:Optimization of a sensitive method for the determination of nitro musk fragrances in waters by solid-phase microextraction and gas chromatography with micro electron capture detection using factorial experimental design.
PubMed:Further solid-phase microextraction-gas chromatography-mass spectrometry applications: "on-fibre" and aqueous photodegradation of nitro musks.
PubMed:Determination of musk compounds in sewage treatment plant sludge samples by solid-phase microextraction.
PubMed:Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system.
PubMed:Nitromusk compounds in women with gynecological and endocrine dysfunction.
PubMed:Kinetics of nitromusk compounds degradation in water by ultraviolet radiation and hydrogen peroxide.
PubMed:Genotoxicity of nitro musks in the micronucleus test with human lymphocytes in vitro and the human hepatoma cell line Hep G2.
PubMed:Nitro musk compounds genotoxic activity : Genotoxicity testing of nitro musks with the SOS-chromotest and the sister-chromatid exchange test.
PubMed:Occurrence of nitro and non-nitro benzenoid musk compounds in human adipose tissue.
PubMed:A comparative study of five nitro musk compounds for genotoxicity in the SOS chromotest and Salmonella mutagenicity.
PubMed:[Mutagenicity, genotoxicity and cogenotoxicity of environmentally relevant nitro musk compounds].
PubMed:Determination of musk ambrette in fragrance products by capillary gas chromatography with electron capture detection: interlaboratory study.
PubMed:90-day dermal toxicity study and neurotoxicity evaluation of nitromusks in the albino rat.
PubMed:Photoallergic potential in the guinea-pig of the nitromusk perfume ingredients musk ambrette, musk moskene, musk xylene, musk ketone, and musk tibetene.
PubMed:Phototoxicity, photoallergy, and contact sensitization of nitro musk perfume raw materials.
PubMed:The structure of musk ketone and musk tibetene.
 
Notes:
Gives depth to fragrances. in contrast to other musk cpds this cpd does not cause allergic photocontact dermatitis.
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