ChemicalBook CAS DataBase List 81-15-2

81-15-2

Name	Musk xylene
CAS	81-15-2
EINECS(EC#)	201-329-4
Molecular Formula	C12H15N3O6
MDL Number	MFCD00024270
Molecular Weight	297.26
MOL File	81-15-2.mol

Synonyms

2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene 2,4,6-TRINITRO-1-TERT-BUTYL-3,5-DIMETHYLBENZENE 2,4,6-trinitro-5-tert-butyl-1,3-xylene 5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE LABOTEST-BB LT00111956 MUSK XLYENE MUSK XYLENE MUSK XYLOL 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-benzen 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-Benzene 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzen 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitro-benzol 2,4,6-Trinitro-3,5-dimethyl-1-(1,1-dimethylethyl)-benzene 2,4,6-trinitro-3,5-dimethyl-1-tert-butylbenzene 2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene 5-t-Butyl-2,4,6-trinitro-m-xylene 5-tert-butyl-2,4,6-trinitro-m-xylen

Chemical Properties

Melting point	235.4°C
Boiling point	438.78°C (rough estimate)
density	1.3226 (rough estimate)
refractive index	1.5290 (estimate)
Fp	2 °C
storage temp.	2-8°C
solubility	Chloroform (Slightly), Ethyl Acetate (Slightly)
form	Solid
color	White to Pale Yellow
Odor	at 10.00 % in benzyl benzoate. fatty dry sweet soapy musk
Odor Type	musk
BRN	2015910
Major Application	environmental
Cosmetics Ingredients Functions	FRAGRANCE PERFUMING
InChI	1S/C12H15N3O6/c1-6-9(13(16)17)7(2)11(15(20)21)8(12(3,4)5)10(6)14(18)19/h1-5H3
InChIKey	XMWRWTSZNLOZFN-UHFFFAOYSA-N
SMILES	Cc1c(c(C)c(c(c1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O
LogP	4.369 (est)
CAS DataBase Reference	81-15-2(CAS DataBase Reference)
IARC	3 (Vol. 65) 1996
NIST Chemistry Reference	2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene(81-15-2)
EPA Substance Registry System	81-15-2(EPA Substance)

Safety Data

Hazard Codes	E,Xn,N,F
Risk Statements	R2:Risk of explosion by shock, friction, fire or other sources of ignition. R40:Limited evidence of a carcinogenic effect. R50/53:Very Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment . R36:Irritating to the eyes. R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . R11:Highly Flammable. less more
Safety Statements	S36/37:Wear suitable protective clothing and gloves . S46:If swallowed, seek medical advice immediately and show this container or label . S60:This material and/or its container must be disposed of as hazardous waste . S61:Avoid release to the environment. Refer to special instructions safety data sheet . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	2956
WGK Germany	2
TSCA	TSCA listed
HazardClass	4.1 (5-tert-BUTYL-2,4,6-TRINITRO-m- XYLENE (MUSK XYLENE))
PackingGroup	III (5-tert-BUTYL-2,4,6-TRINITRO-m- XYLENE (MUSK XYLENE))
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2
Safety Profile	Low oral toxicity. A human skin irritant. A flammable solid. When heated to decomposition it emits toxic fumes of NOx. See also NITRO COMPOUNDS of AROMATIC HYDROCARBONS. less more
Hazardous Substances Data	81-15-2(Hazardous Substances Data)
Toxicity	The acute oral LD₅₀ in rats was reported as >10 g/kg and the acute dermal LD₅₀ in rabbits as > 15 g/kg (Fogleman, 1970). less more

Raw materials And Preparation Products

Hazard Information

General Description

5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE(81-15-2) is a white to light-colored crystalline solid. 5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE(81-15-2) is insoluble in water and denser than water. Hence sinks in water. Contact may irritate skin, eyes, and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

Reactivity Profile

Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact.

Air & Water Reactions

Highly flammable. Insoluble in water.

Health Hazard

Inhalation or contact with vapors, substance or decomposition products may cause severe injury or death. May produce irritating, toxic and/or corrosive gases. Runoff from fire control may cause pollution.

Fire Hazard

Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. May be ignited by heat, sparks or flames. Some may decompose explosively when heated or involved in a fire. May burn violently. Decomposition may be self-accelerating and produce large amounts of gases. Vapors or dust may form explosive mixtures with air.

Chemical Properties

Pale Yellow Solid

Occurrence

Has apparently not been reported to occur in nature.

Uses

Musk Xylene is a synthetic nitro musk. Musk Xylene is used in fragrances and soap to mimic natural musk. Studies suggest that formation of Xylene Musk adducts of rainbow trout Hb can be potentially us ed as biomarker of exposure.

Uses

Musk xylene is used as fragrance and fixative in after shave lotions, performs etc.; musk compound of choice for soap and detergent fragrances; some perfumery uses (soap; Norell; oriental; chypre; herbal).

Application

Musk xylene is used very widely in all types of low-cost and ordinary fragrances for household products, for industrial purposes, inexpensive cosmetic products, etc. and it is very often accompanied by Amylsalicylate and Cournarin, Lavandin oil or Citrus oils, or it is the main fixative in a Pine fragrance, etc.

Definition

ChEBI: A C-nitro compound that is m-xylene bearing three nitro substituents at positions 2, 4 and 6 as well as a tert-butyl group at position 5.

Preparation

By nitration of the corresponding benzene derivative (Bedoukian, 1967).

Material Safety Data Sheet(MSDS)

Spectrum Detail

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