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musk tibetene (Givaudan)

Musk tibetene is a synthetic musk compound known for its medium musk odor and strong fixative qualities, mainly used for informational purposes rather than in commercial fragrances or flavors.
Chemical Structure

General Material Description

Musk tibetene (PubChem CID: 67350) is a synthetic aromatic chemical compound with the molecular formula C13H18N2O4. It appears as a solid and is characterized by a medium musk odor described as powdery, fatty, and sweet. The compound has various synonyms including benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-, and is also known commonly as musk tibetine, a name used interchangeably in literature. Originally synthesized as part of fragrance research, musk tibetene is not currently used in commercial fragrances or flavors but remains of interest for informational and research purposes due to its distinctive musk aroma and chemical properties.

Occurrence, Applicability & Potential Uses

Musk tibetene is a synthetic compound not found naturally in biological systems. Although synthetic musks often mimic musk notes derived from natural sources like animal secretions, this compound serves predominantly as a musk odorant in perfumery research. Its odor profile includes amber, animalic, moss, woody, and musk notes, offering fixative properties that prolong fragrance longevity. Despite these qualities, musk tibetene is classified under IFRA (Global) standards as prohibited for use in fragrances and flavors, limiting its practical application. Historically, it has been evaluated for its contribution to scent depth and cleanliness, but it remains primarily an informational compound without routine commercial use.

Physico-Chemical Properties Summary

Musk tibetene is a low-volatility solid with a moderate molecular weight around 266.3 g/mol. It exhibits a relatively high estimated logP value near 4.9, indicating lipophilic characteristics and limited water solubility. Its vapor pressure at 25 °C is extremely low (approximately 5.0E-6 mmHg), contributing to its substantivity, which can extend up to 348 hours in benzyl benzoate at 20% concentration. The compound dissolves well in solvents commonly used in fragrance formulation such as benzyl benzoate, diethyl and dimethyl phthalates, and high concentration ethanol. Its flash point is around 93 °C (approximately 200 °F), reflecting moderate thermal stability. These properties make it a potent fixative, enhancing the persistence and projection of musk notes in formulations, though its actual use is limited due to regulatory restrictions.

FAQ

What is musk tibetene and what are its main characteristics?
Musk tibetene is a synthetic aromatic compound recognized for its medium-strength musk odor with sweet, powdery, and fatty nuances. Chemically, it is a substituted benzene derivative with nitro and alkyl groups contributing to its odor profile. It serves primarily as a musk odorant with applications explored in fragrance research. The compound is notable for its high substantivity, meaning it remains perceptible for extended periods when used in solvent mixtures.
How is musk tibetene used and where does it occur naturally?
Musk tibetene does not occur naturally and is solely a synthetic molecule designed to replicate musk-like odors. Its use is primarily informational and experimental in the fragrance industry, serving as a reference musk odorant. Although it imparts amber, woody, and animalic nuances and has fixative properties, it is currently not incorporated into commercial fragrances or flavors due to regulatory decisions. This status confines its practical roles mainly to academic or toxicological studies rather than consumer products.
What regulations govern the use and sourcing of musk tibetene?
Musk tibetene is governed by IFRA (International Fragrance Association, Global), which currently prohibits its use in fragrance applications due to insufficient safety data or potential concerns. It is also listed under various chemical registries such as the European REACH database (ECHA), US FDA, and EPA platforms, primarily for informational purposes. The compound is not approved for flavor use. Safety assessments do not report significant hazard classifications, but restricted usage serves as a precautionary measure reflecting evolving standards in fragrance safety and chemical regulation.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & 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
Publications by PubMed
Analysis of 7 synthetic musks in cream by supported liquid extraction and solid phase extraction followed by GC-MS/MS.
Analysis of plasticizers and synthetic musks in cosmetic and personal care products by matrix solid-phase dispersion gas chromatography-mass spectrometry.
Photochemical behaviour of musk tibetene. A chemical and kinetic investigation.
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.
Further solid-phase microextraction-gas chromatography-mass spectrometry applications: "on-fibre" and aqueous photodegradation of nitro musks.
Determination of musk compounds in sewage treatment plant sludge samples by solid-phase microextraction.
Evaluation of carcinogenic potential of two nitro-musk derivatives, musk xylene and musk tibetene in a host-mediated in vivo/in vitro assay system.
Nitromusk compounds in women with gynecological and endocrine dysfunction.
Kinetics of nitromusk compounds degradation in water by ultraviolet radiation and hydrogen peroxide.
Genotoxicity of nitro musks in the micronucleus test with human lymphocytes in vitro and the human hepatoma cell line Hep G2.
Nitro musk compounds genotoxic activity : Genotoxicity testing of nitro musks with the SOS-chromotest and the sister-chromatid exchange test.
Occurrence of nitro and non-nitro benzenoid musk compounds in human adipose tissue.
A comparative study of five nitro musk compounds for genotoxicity in the SOS chromotest and Salmonella mutagenicity.
[Mutagenicity, genotoxicity and cogenotoxicity of environmentally relevant nitro musk compounds].
Determination of musk ambrette in fragrance products by capillary gas chromatography with electron capture detection: interlaboratory study.
90-day dermal toxicity study and neurotoxicity evaluation of nitromusks in the albino rat.
Photoallergic potential in the guinea-pig of the nitromusk perfume ingredients musk ambrette, musk moskene, musk xylene, musk ketone, and musk tibetene.
Phototoxicity, photoallergy, and contact sensitization of nitro musk perfume raw materials.
The structure of musk ketone and musk tibetene.

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

General Material Information

Preferred name musk tibetene (Givaudan)
Trivial Name Musk tibetene
Short Description benzene, 1-(1,1-dimethylethyl)-3,4,5-trimethyl-2,6-dinitro-
Formula C13 H18 N2 O4
CAS Number 145-39-1
ECHA Number 205-651-6
FDA UNII CMN65165X5
Nikkaji Number J12.977A
Beilstein Number 2000732
MDL MFCD00024266
xLogP3-AA 4.30 (est)
Bio Activity Summary External link
NMR Predictor External link
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 tibetine
  • tibetene musk
  • 1-tert-butyl-3,4,5-trimethyl-2,6-dinitrobenzene
  • 1-(1,1-Dimethylethyl)-3,4,5-trimethyl-2,6-dinitrobenzene
  • 2,6-Dinitro-3,4,5-trimethyl-tert-butylbenzene
  • Musk tibetene
  • NSC 78470
  • 1-tert-Butyl-2,6-dinitro-3,4,5-trimethylbenzene

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 266.29727172852
Vapor Pressure 5.0E-6 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.931 est
Solubility
benzyl benzoate, 27.4:100 Yes
diethyl phthalate, 13.7:100 Yes
dimethyl phthalate, 15.6:100 Yes
ethyl alcohol, 95% ,1.39:100 Yes
methyl carbitol, 5.4:100 Yes
water, 0.2946 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Musk
musk, sweet, powdery, fatty
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 348 hour(s) at 20.00 % in benzyl benzoate
Luebke, William tgsc, (1985) At 10.00 % in benzyl benzoate. musk ketone sweet powdery fatty

Potential Uses

Applications
Odor purposes Amber , Animal , Moss , Musk , Woody
Other purposes Clean , Depth , Fixer
Cosmetic purposes Not used anymore

Safety Information

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
View the IFRA 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
AIDS Citations: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