EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

musk ambrette
2,4-dinitro-3-methyl-6-tert-butylanisole

Supplier Sponsors

Name:1-tert-butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
CAS Number: 83-66-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-493-7
FDA UNII:55V150W8R6
Nikkaji Web:J11.610F
Beilstein Number:1889437
MDL:MFCD00024268
CoE Number:495
XlogP3-AA:3.60 (est)
Molecular Weight:268.26952000
Formula:C12 H16 N2 O5
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
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
FEMA Number:2758-VOID
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: MUSK AMBRETTE
 
Physical Properties:
Appearance:pale yellow powder (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 85.00 °C. @ 760.00 mm Hg
Boiling Point: 369.32 °C. @ 760.00 mm Hg (est)
Congealing Point:83.40 °C.
Vapor Pressure:0.000025 mm/Hg @ 25.00 °C. (est)
Flash Point:> 220.00 °F. TCC ( > 104.44 °C. )
logP (o/w): 4.039 (est)
Soluble in:
 alcohol
 paraffin oil
 16.4 gms to 100 gms methyl carbitol
 50 gms to 100 gms benzyl benzoate
 36.7 gms to 100 gms diethyl phthalate
 32.6 gms to 100 gms dimethyl phthalate
 3.3 gms to 100 gms alcohol (95%)
 water, 2.107 mg/L @ 25 °C (est)
Stability:
 cream
 hair spray
 lipstick
 lotion
 powder
 shampoo
 soap
 
Organoleptic Properties:
Odor Type: musk
Odor Strength:medium
Substantivity:400 hour(s) at 20.00 % in benzyl benzoate
musty sweet ambrette seedy
Odor Description:at 10.00 % in benzyl benzoate. musty sweet ambrette seed
Luebke, William tgsc, (1984)
Odor sample from: Berje Inc.
Odor and/or flavor descriptions from others (if found).
Perfumery Laboratory
MUSKUS AMBRETTES crystals (Musk Ambrette)
Odor Description:Sweet, musky, floral, with a pear shade and a bright note of an ambrette
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: not used anymore
 
Suppliers:
Anhui Haibei
Musk Ambrette
Odor: Musty sweet ambrette seed
Associate Allied Chemicals
Musk Ambrette
About
Augustus Oils
Musk Ambrette
Services
BOC Sciences
For experimental / research use only.
Musk Ambrette
Fleurchem
musk ambrette
Fuzhou Farwell
Musk Ambrette
Indenta Group
Musk Ambrette
Jiangyin Healthway
Musk Ambrette
New functional food ingredients
Kunshan Sainty
Musk Ambrette
Lluch Essence
MUSK AMBRETTE
M&U International
MUSK AMBRETTE
Pearlchem Corporation
Musk Ambrette
Penta International
MUSK AMBRETTE
Perfumer Supply House
Musk Ambrette
Odor: Sweet musk, floral, seedy, ambrette note
Perfumery Laboratory
MUSKUS AMBRETTES crystals (Musk Ambrette)
Odor: Sweet, musky, floral, with a pear shade and a bright note of an ambrette
Reincke & Fichtner
Musk Ambrette
Sunaux International
Musk Ambrette
TCI AMERICA
For experimental / research use only.
4-tert-Butyl-3-methoxy-2,6-dinitrotoluene >99.0%(GC)
Wanxiang International
Musk Ambrette
 
Safety Information:
 
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
IFRA: View 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
 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
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center: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
 
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
 
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
FDA Everything Added to Food in the United States (EAFUS):View
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C19461
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2909.50.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
atractylis absolute
FR
amber
amber
ambrette seed oil
FL/FR
cistus ladaniferus resinoid
FR
animal
civet absolute
FL/FR
balsamic
abies alba needle oil
FL/FR
copaiba balsam oil
FL/FR
fir needle oil siberia
FL/FR
tolu balsam
FL/FR
floral
iso
amyl salicylate
FL/FR
iso
butyl salicylate
FL/FR
herbal
acorus calamus root oil
FR
clary sage oil france
FL/FR
lavender absolute bulgaria
FL/FR
spicy
cinnamyl acetate
FL/FR
turmeric root oil china
FL/FR
tonka
coumarin
FR
deertongue absolute
FR
woody
cedarwood oil virginia
FR
2-
decalinyl formate
FR
iso
longifolene epoxide
FR
patchouli oil
FL/FR
vetiverol
FL/FR
For Flavor
amber
ambrette seed oil
FL/FR
animal
civet absolute
FL/FR
balsamic
copaiba balsam oil
FL/FR
fir needle oil siberia
FL/FR
tolu balsam
FL/FR
cooling
iso
butyl salicylate
FL/FR
green
iso
amyl salicylate
FL/FR
herbal
clary sage oil france
FL/FR
lavender absolute bulgaria
FL/FR
orris
costus root oil
FL
spicy
cinnamyl acetate
FL/FR
turmeric root oil china
FL/FR
terpenic
abies alba needle oil
FL/FR
woody
patchouli oil
FL/FR
vetiverol
FL/FR
 
Potential Uses:
FRamber
FRambergris
FRcastoreum
FRcivet
FRmoss
FRmusk
FRoriental
 rose
FRtobacco
FRwoody
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 musk ambrette
 

Articles:

Info:MUSK
 
Notes:
widely used fragrance implicated in contact photosensitivity.
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