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moskene (Givaudan)

Chemical Structure

General Material Information

Preferred name moskene (Givaudan)
Trivial Name Moskene
Short Description 1H-indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
Formula C14 H20 N2 O4
CAS Number 116-66-5
ECHA Number 204-149-4
FDA UNII 1Q49IC9FAW
Nikkaji Number J10.095A
Beilstein Number 2163411
MDL MFCD00021242
xLogP3-AA 4.50 (est)
Bio Activity Summary External link
NMR Predictor External link
Synonyms
  • 1-tert- butyl-3,5-dinitro-1-isopropyl-4-methylbenzene
  • 4,6-dinitro-1,1,3,3,5-pentamethyl indan
  • 4,6-dinitro-1,1,3,3,5-pentamethylindan
  • 4,6-dinitro-1,1,3,3,5-pentamethylindane
  • indan, 1,1,3,3,5-pentamethyl-4,6-dinitro-
  • indan, 4,6-dinitro-1,1,3,3,5-pentamethyl-
  • 1H- indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
  • musk moskene
  • 1,1,3,3,5-pentamethyl-4,6-dinitro-2,3-dihydro-1H-indene
  • 1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
  • 1,2,3,3,5-pentamethyl-4,6-dinitro-indan
  • 1,1,3,3,5-pentamethyl-4,6-dinitroindan
  • 1,1,3,3,5-pentamethyl-4,6-dinitroindane
  • 1,1,3,3,5-pentamethyl-4,6-dinitrolindan
  • 1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
  • 1H-Indene, 2,3-dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-
  • 2,3-Dihydro-1,1,3,3,5-pentamethyl-4,6-dinitro-1H-indene
  • Moskene
  • 1,1,3,3,5-Pentamethyl-4,6-dinitroindan
  • 1,1,3,3,5-Pentamethyl-4,6-dinitroindane
  • NSC 60035
  • 4,6-Dinitro-1,1,3,3,5-pentamethylindane

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Literature & References

1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:116-66-5
Pubchem (cid):67005
Pubchem (sid):135023394
Publications by PubMed
Headspace stir bar sorptive extraction followed by thermal desorption and gas chromatography with mass spectrometry to determine musk fragrances in sludge samples without sample pretreatment.
Analysis of 7 synthetic musks in cream by supported liquid extraction and solid phase extraction followed by GC-MS/MS.
Determination of polycyclic and nitro musks in environmental water samples by means of microextraction by packed sorbents coupled to large volume injection-gas chromatography-mass spectrometry analysis.
[Determination of synthetic nitro-musks in cosmetics by gas chromatography coupled with negative chemical ionization-triple quadrupole mass spectrometry].
Fully automated ionic liquid-based headspace single drop microextraction coupled to GC-MS/MS to determine musk fragrances in environmental water samples.
Determination of synthetic musk compounds in indoor house dust by gas chromatography-ion trap mass spectrometry.
Multicomponent analytical methodology to control phthalates, synthetic musks, fragrance allergens and preservatives in perfumes.
High-sensitivity analysis of six synthetic musks by ultra-performance liquid chromatography-atmospheric pressure photoionization-tandem mass spectrometry.
Occurrence of synthetic musks in indoor dust from China and implications for human exposure.
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.
Analysis of neutral nitromusks in incenses by capillary electrophoresis in organic solvents and gas chromatography-mass spectrometry.
Simultaneous congener-specific determination of selected organochlorine compounds and nitro musks in human whole blood samples by solid-phase extraction and capillary gas chromatography with electron capture detection.
Estrogenic activity of cosmetic components in reporter cell lines: parabens, UV screens, and musks.
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.
Nitromusk compounds in women with gynecological and endocrine dysfunction.
Analysis of nitro musk compounds and their amino metabolites in liquid sewage sludges using NMR and mass spectrometry.
Kinetics of nitromusk compounds degradation in water by ultraviolet radiation and hydrogen peroxide.
Nitro musks, nitro musk amino metabolites and polycyclic musks in sewage sludges. Quantitative determination by HRGC-ion-trap-MS/MS and mass spectral characterization of the amino metabolites.
Interactions of nitromusk parent compounds and their amino-metabolites with the estrogen receptors of rainbow trout (Oncorhynchus mykiss) and the South African clawed frog (Xenopus laevis).
Toxicity of nitromusks in early lifestages of South African clawed frog (Xenopus laevis) and zebrafish (Danio rerio).
Contact allergy to musk moskene in a perfumed moisturizing cream.
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].
[Nitro-musk compounds in breast milk].
Pigmented contact dermatitis due to musk moskene.
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.
Contact and photocontact allergy to musk ambrette.
Phototoxicity, photoallergy, and contact sensitization of nitro musk perfume raw materials.
Contact allergy to photoproducts of musk ambrette.
Thin layer chromatography and high pressure liquid chromatography of musk ambrette and other nitromusk compounds including photopatch studies.
Photosensitivity to musk ambrette.

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
Wikipedia:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 280.32418823242
Boiling Point 350 to 353°C @ 760 mm Hg
Vapor Pressure 8.4E-5 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.839 est
Solubility
1.05 gms to 100 gms alcohol Yes
16.7 gms to 100 gms benzyl benzoate Yes
4.19 gms to 100 gms methyl carbitol Yes
24.2 gms to 100 gms diethyl phthalate Yes
25.9 gms to 100 gms dimethyl phthalate Yes
water, 0.1661 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Musk
sweet, musk, ambrette, powdery, dry
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 400 hour(s) at 20.00 %
Luebke, William tgsc, (1985) At 10.00 % in benzyl benzoate. sweet musk ambrette ketone powdery dry

Potential Uses

Applications
Odor purposes Amber, Fern, Lavender, Moss, Musk, Oriental, Woody
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 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 885, 1979.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 17, Pg. 885, 1979.

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 moskene (Givaudan) usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Recommendation for moskene (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):116-66-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :67005
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WGK Germany:2
1,1,3,3,5-pentamethyl-4,6-dinitro-2H-indene
Chemidplus:0000116665