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

musk xylol
benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-

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Fragrance Demo Formulas
Name:1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
CAS Number: 81-15-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-329-4
FDA UNII:1ZAO16GU5K
Nikkaji Web:J11.689K
Beilstein Number:2015910
MDL:MFCD00024270
XlogP3-AA:3.80 (est)
Molecular Weight:297.26775000
Formula:C12 H15 N3 O6
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
 
Physical Properties:
Appearance:pale yellow crystals (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 235.40 °C. @ 0.00 mm Hg
Boiling Point: 392.31 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.000005 mmHg @ 25.00 °C. (est)
Flash Point: 200.00 °F. TCC ( 93.33 °C. )
logP (o/w): 4.369 (est)
Shelf Life: 36.00 month(s) or longer if stored properly.
Soluble in:
 ethyl alcohol, slightly
 paraffin oil
 water, 0.8214 mg/L @ 25 °C (est)
 5.5 gms to 100 gms methyl carbitol
 25.2 gms to 100 gms benzyl benzoate
 14.4 gms to 100 gms diethyl phthalate
 16.8 gms to 100 gms dimethyl phthalate
 0.88 gms to 100 gms alcohol (95%)
 
Organoleptic Properties:
Odor Type: musk
Odor Strength:medium
Substantivity:400 hour(s) at 20.00 % in dipropylene glycol
fatty dry sweet soapy musk
Odor Description:at 10.00 % in benzyl benzoate. fatty dry sweet soapy musk
Luebke, William tgsc, (1984)
Odor sample from: Berje Inc.
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: masking agents
perfuming agents
 
Suppliers:
Anhui Haibei
Musk Xylol
Odor: Fatty dry sweet musk
Associate Allied Chemicals
Musk Xylol
About
Berjé
Musk Xylol
Happening at Berje
Ernesto Ventós
MUSK XYLOL
Fleurchem
musk xylol
Fuzhou Farwell
Musk Xylol
Global Essence
Musk Xylol
Indenta Group
Musk Xylol
Jiangyin Healthway
Musk xylene
New functional food ingredients
Lluch Essence
MUSK XYLOL
Pearlchem Corporation
Musk Xylene
Penta International
MUSK XYLOL
PerfumersWorld
Musk xylol 10% in DPG
PerfumersWorld
Musk Xylol
Odor: fatty dry sweet musk slightly fatty nitro-musk Sweet-musky
Use: Blends-well-with - +Civet +Lavandin +Labdanum +Costus Root +Copaiba Animal-notes
Perfumery Laboratory
MUSKUS XYLOL
Odor: Sweet, with a warm oily note musky
R C Treatt & Co Ltd
Musk Xylene
Reincke & Fichtner
Musk Xylol
The John D. Walsh Company
Musk Xylol
 
Safety Information:
European information :
Most important hazard(s):
Xn N - Harmful, Dangerous for the environment.
R 02 - Risk of explosion by shock, friction, fire or other sources of ignition.
R 40 - Possible risks of irreversable effects.
R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment.
S 02 - Keep out of the reach of children.
S 36/37 - Wear suitable protective clothing and gloves.
S 46 - If swallowed, seek medical advice immediately and show this container or label.
S 60 - This material and its container must be disposed of as hazardous waste.
S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
Carcinogenicity (Category 2), H351
Chronic aquatic toxicity (Category 1), H410
GHS Label elements, including precautionary statements
 
Pictogramhealth-hazard.jpgenvironment.jpg
 
Signal word Warning
Hazard statement(s)
H351 - Suspected of causing cancer
H410 - Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
P201 - Obtain special instructions before use.
P202 - Do not handle until all safety precautions have been read and understood.
P273 - Avoid release to the environment.
P281 - Use personal protective equipment as required.
P308 + P313 - IF exposed or concerned: Get medical advice/attention.
P391 - Collect spillage. Hazardous to the aquatic environment
P405 - Store locked up.
P501 - Dispose of contents/ container to an approved waste disposal plant.
Oral/Parenteral Toxicity:
oral-rat LD50 > 10000 mg/kg
Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.

oral-mouse LD50 > 4000 mg/kg
Food and Chemical Toxicology. Vol. 28, Pg. 581, 1990.

Dermal Toxicity:
skin-rabbit LD50 > 15000 mg/kg
Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: information only not used for fragrances or flavors
IFRA fragrance material specification:
 Ongoing research on the fragrance ingredient musk xylene has provided evidence over time that it fulfills the criteria for being classified vPvB (Environmental half-life >180 days; BCF>5000).
IFRA: View Standard
Recommendation for musk xylol usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Recommendation for musk xylol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
ECHA (ESR):View
NLM Hazardous Substances Data Bank:Search
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Carcinogenic Potency Database:Search
Env. Mutagen Info. Center:Search
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):81-15-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62329
National Institute of Allergy and Infectious Diseases:Data
SCCNFP:opinion
WISER:UN 2956
WGK Germany:3
1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
Chemidplus:0000081152
EPA/NOAA CAMEO:hazardous materials
 
References:
 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:81-15-2
Pubchem (cid):62329
Pubchem (sid):135019593
 
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
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C19462
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2904.20.30.00.3
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
No odor group found for these
atractylis absolute
FR
amber
amber
cistus ladaniferus resinoid
FL/FR
animal
civet absolute
FL/FR
balsamic
abies alba needle oil
FL/FR
copaiba balsam oil
FL/FR
fir needle oil siberia
FL/FR
floral
iso
butyl salicylate
FL/FR
herbal
acorus calamus root oil
FR
clary sage oil france
FL/FR
abrialis
lavandin oil
FL/FR
tonka
coumarin
FR
woody
cedarwood oil virginia
FR
iso
longifolene epoxide
FR
For Flavor
No flavor group found for these
cistus ladaniferus resinoid
FL/FR
animal
animal
civet absolute
FL/FR
balsamic
copaiba balsam oil
FL/FR
fir needle oil siberia
FL/FR
cooling
iso
butyl salicylate
FL/FR
herbal
clary sage oil france
FL/FR
abrialis
lavandin oil
FL/FR
orris
costus root oil
FL
terpenic
abies alba needle oil
FL/FR
 
Potential Uses:
FRacacia
FRaldehydic
FRalmond
FRalpine bouquet
FRamber
FRambrene
 amour-amour
 anais anais
FRbaby powder
FRbalsam
FRbluebell
FRbouquet
FRcarnation
 charlie
FRcherry blossom
 chloe
FRchristmas
FRchypre
FRcoconut
FRcologne
 estee
FRevergreen
FRfern
 fidji
FRfloral
FRgardenia
FRginger white ginger
FRhay new mown hay
FRheather
FRherbal
FRhoneysuckle
FRjasmin
 jockey club
 l'air du temps
FRlavender
 lux beauty shower soap
FRmillefleurs
FRmint
FRmoss
FRmusk
 norell
FRorange blossom
FRoriental
 paris
FRpatchouli
FRpine
FRpine forest
FRrain
FRrose
FRrose moss rose
FRsandalwood
FRsassafras
FRsherry
FRsweet grass
FRvanilla
FRviolet
FRwine
FRylang ylang
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
 benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-
5-tert-butyl-2,4,6-trinitro-m-xylene
5-tert-butyl-2,4,6-trinitro-meta-xylene
5-tert-butyl-2,4,6-trinitroxylene
1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzol
1-(1,1-dimethyl ethyl)-3,5-dimethyl-2,4,6-trinitrobenzene
(dimethyl-1,1-ethyl)-1-dimethyl-3,5-trinitro-2,4,6-benzene
1,3-dimethyl-5-(2-methyl-2-propanyl)-2,4,6-trinitrobenzene
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene
 musk xylene
 musk xylol
 musk zylene
2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene
2,4,6-trinitro-3,5-dimethyl-1-tert-butylbenzene
m-xylene, 5-tert-butyl-2,4,6-trinitro-
 

Articles:

Info:MUSK
PubMed:Determination of musk ambrette, musk xylol, and musk ketone in fragrance products by capillary gas chromatography with electron capture detection.
PubMed:The effects of an alpha hydroxy acid (glycolic acid) on hairless guinea pig skin permeability.
PubMed:Odor perception phenotypes: multiple, specific hyperosmias to musks.
PubMed:In vitro percutaneous absorption of the fragrance ingredient musk xylol.
PubMed:Patch testing with fragrances: results of a multicenter study of the European Environmental and Contact Dermatitis Research Group with 48 frequently used constituents of perfumes.
PubMed:Long-term toxicity/carcinogenicity of musk xylol in B6C3F1 mice.
PubMed:[Toxicity and carcinogenicity studies of musk xylol in B6C3F1 mouse].
PubMed:Phototoxicity, photoallergy, and contact sensitization of nitro musk perfume raw materials.
PubMed:Testing with musk ambrette and congeners in a case of photosensitivity dermatitis and actinic reticuloid syndrome (PD/AR).
 
Notes:
None found
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