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musk ambrette

Chemical Structure

General Material Information

Preferred name musk ambrette
Trivial Name Musk ambrette
Short Description 2,4-dinitro-3-methyl-6-tert-butylanisole
Formula C12 H16 N2 O5
CAS Number 83-66-9
ECHA Number 201-493-7
FDA UNII 55V150W8R6
Nikkaji Number J11.610F
Beilstein Number 1889437
MDL MFCD00024268
COE Number 495
xLogP3-AA 3.60 (est)
Bio Activity Summary External link
NMR Predictor External link
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 83-66-9 ; MUSK AMBRETTE--NLFG
Synonyms
  • amber musk
  • ambrette musk
  • anisole, 6-t-butyl-3-methyl-2,4-dinitro-
  • anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
  • benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
  • benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
  • 5-tert- butyl-1,3-dinitro-4-methoxy-2-methylbenzene
  • 1-tert- butyl-2-methoxy-4-methyl-3,5-dinitro-benzene
  • 1-tert- butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 1-tert- butyl-2-methoxy-4-methyl-3,5-dinitrobenzol
  • 4-tert- butyl-2,6-dinitro-3-methoxytoluene
  • 4-tert- butyl-3-methoxy-1-methyl-2,6-dinitrobenzene
  • 4-tert- butyl-3-methoxy-2,6-dinitrotoluene
  • 6-tert- butyl-3-methyl-2,4-dinitroanisol
  • 6-tert- butyl-3-methyl-2,4-dinitroanisole
  • 6-tert- butyl-3-methyl-2,4-dinitrophenyl methyl ether
  • 1-(tert- butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 1-(1,1-dimethyl ethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 2,6-dinitro-3-methoxy-1-methyl-4-tert-butyl benzene
  • 2,6-dinitro-3-methoxy-1-methyl-4-tert-butylbenzene
  • 2,6-dinitro-3-methoxy-4-tert-butyltoluene
  • 2,4-dinitro-3-methyl-6-tert-butyl anisole
  • 2,4-dinitro-3-methyl-6-tert-butylanisole
  • griselimycine
  • 4-methoxy-1,3-dinitro-2-methyl-5-tert-butyl benzene
  • 4-methoxy-1,3-dinitro-2-methyl-5-tert-butylbenzene
  • 2-methoxy-4-methyl-1-(2-methyl-2-propanyl)-3,5-dinitrobenzene
  • 1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
  • Synthetic musk ambrette
  • 6-tert-Butyl-3-methyl-2,4-dinitroanisole
  • Musk ambrette (artificial)
  • Artificial musk ambrette
  • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
  • NSC 46122
  • NSC 59845
  • 2,6-Dinitro-3-methoxy-4-tetra-butyl toluene
  • 1-(tert-Butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 4-tert-Butyl-2,6-dinitro-3-methoxytoluene

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Literature & References

1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:83-66-9
Pubchem (cid):6753
Pubchem (sid):134971693
Publications by Info
MUSK

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
FDA Substances Added to Food (formerly EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C19461
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2909.50.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 268.26953125
Vapor Pressure 2.5E-5 mmHg @ 25 °C
Flash Point TCC Value 104.44 °C TCC
logP (o/w) 4.039 est
Solubility
alcohol Yes
paraffin oil Yes
16.4 gms to 100 gms methyl carbitol Yes
50 gms to 100 gms benzyl benzoate Yes
36.7 gms to 100 gms diethyl phthalate Yes
32.6 gms to 100 gms dimethyl phthalate Yes
3.3 gms to 100 gms alcohol (95%) Yes
water, 2.107 mg/L @ 25 °C (est) Yes
Stability
cream Unspecified
hair spray Unspecified
lipstick Unspecified
lotion Unspecified
powder Unspecified
shampoo Unspecified
soap Unspecified

Organoleptic Properties

Odor Type: Musk
musty, sweet, ambrette, seedy
Odor strength medium
Substantivity 400 hour(s) at 20.00 % in benzyl benzoate
Luebke, William tgsc, (1984) At 10.00 % in benzyl benzoate. musty sweet ambrette seed
General comment Sweet, musky, floral, with a pear shade and a bright note of an ambrette

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 339 mg/kg
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.

Dermal Toxicity:
skin-rabbit LD50 > 2000 mg/kg
Food and Cosmetics Toxicology. Vol. 13, Pg. 875, 1975.

Inhalation Toxicity:
Not determined

Safety in use information

Category:
information only not used for fragrances or flavors
IFRA Critical Effect:
Photosensitization and neurotoxicity
View the IFRA Standard
Recommendation for musk ambrette usage levels up to:
PROHIBITED: Should not be used as a fragrance ingredient.
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 3. Update in publication number(s): 13
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -0.41000
beverages(nonalcoholic): -0.43000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -9.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.26000
fruit ices: -0.26000
gelatins / puddings: -0.01000
granulated sugar: --
gravies: --
hard candy: -4.80000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --

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):83-66-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6753
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
Chemidplus:0000083669
EPA/NOAA CAMEO:hazardous materials