musk xylol

General Material Information

Preferred name	musk xylol
Trivial Name	Musk Xylene
Short Description	benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
Formula	C12 H15 N3 O6
CAS Number	81-15-2
ECHA Number	201-329-4
FDA UNII	1ZAO16GU5K
Nikkaji Number	J11.689K
Beilstein Number	2015910
MDL	MFCD00024270
xLogP3-AA	3.80 (est)
Bio Activity Summary	External link
NMR Predictor	External link
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 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- 1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene m-Xylene, 5-tert-butyl-2,4,6-trinitro- 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene 5-tert-Butyl-2,4,6-trinitro-m-xylene 2,4,6-Trinitro-5-tert-butyl-m-xylene Xylene musk 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene 2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene Moschus xylol NSC 59844

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Literature & 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

Publications by Info
MUSK
Publications by PubMed
Determination of musk ambrette, musk xylol, and musk ketone in fragrance products by capillary gas chromatography with electron capture detection.
The effects of an alpha hydroxy acid (glycolic acid) on hairless guinea pig skin permeability.
Odor perception phenotypes: multiple, specific hyperosmias to musks.
In vitro percutaneous absorption of the fragrance ingredient musk xylol.
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.
Long-term toxicity/carcinogenicity of musk xylol in B6C3F1 mice.
[Toxicity and carcinogenicity studies of musk xylol in B6C3F1 mouse].
Phototoxicity, photoallergy, and contact sensitization of nitro musk perfume raw materials.
Testing with musk ambrette and congeners in a case of photosensitivity dermatitis and actinic reticuloid syndrome (PD/AR).

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
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

Suppliers

Anhui Haibei	Associate Allied Chemicals
Berjé	Ernesto Ventós
Fleurchem	Fuzhou Farwell
Global Essence	Indenta Group
Jiangyin Healthway	John Kellys (London)
K.L. Koh Enterprise	Lluch Essence
Pearlchem Corporation	Penta International
PerfumersWorld	Perfumery Laboratory
R C Treatt & Co Ltd	Reincke & Fichtner
The John D. Walsh Company	Global Essence Inc.
Jiangyin Healthway International Trade Co., Ltd	Penta International Corporation
Ernesto Ventós S.A.

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	297.26776123047
Vapor Pressure	5.0E-6 mmHg @ 25 °C
Flash Point TCC Value	93.33 °C TCC
logP (o/w)	4.369 est
Shelf life	36 months (or longer if stored properly.)
Solubility
ethyl alcohol, slightly	Yes
paraffin oil	Yes
water, 0.8214 mg/L @ 25 °C (est)	Yes
5.5 gms to 100 gms methyl carbitol	Yes
25.2 gms to 100 gms benzyl benzoate	Yes
14.4 gms to 100 gms diethyl phthalate	Yes
16.8 gms to 100 gms dimethyl phthalate	Yes
0.88 gms to 100 gms alcohol (95%)	Yes

Organoleptic Properties

Odor Type: Musk
fatty, dry, sweet, soapy, musk
Odor strength	medium
Substantivity	400 hour(s) at 20.00 % in dipropylene glycol
Luebke, William tgsc, (1984)	At 10.00 % in benzyl benzoate. fatty dry sweet soapy musk

Potential Uses

Applications	information only not used for fragrances or flavors
Odor purposes	Acacia , Aldehydic , Almond , Alpine bouquet , Amber , Ambrene , Baby powder , Balsam , Bluebell , Bouquet , Carnation , Cherry blossom , Christmas , Chypre , Coconut , Cologne , Evergreen , Fern , Floral , Gardenia , Ginger white ginger , Hay new mown hay , Heather , Herbal , Honeysuckle , Jasmin , Lavender , Millefleurs , Mint , Moss , Musk , Orange blossom , Oriental , Patchouli , Pine , Pine forest , Rain , Rose , Rose moss rose , Sandalwood , Sassafras , Sherry , Sweet grass , Vanilla , Violet , Wine , Ylang ylang
Other purposes	Amour-amour , Anais anais , Charlie , Chloe , Estee , Fidji , Jockey club , L'air du temps , Lux beauty shower soap , Norell , Paris
Cosmetic purposes	Fragrance , Perfuming agents

Safety Information

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

Pictogram

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).
	View the IFRA 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.