81-15-2

Basic information

• Product Name: Musk xylene
• Synonyms: NSC 59844;MUKS XYLOL;5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE;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;LABOTEST-BB LT00111956;MUSK XLYENE
• CAS NO: 81-15-2
• Molecular Formula: C₁₂H₁₅N₃O₆
• Molecular Weight: 297.26
• EINECS: 201-329-4
• Product Categories: Food & Feed ADDITIVES;Organics;METI - MZChromatography;Natural CompoundsAnalytical Standards;Nitro CompoundsChemical Class;Analytical Standards;AromaticsAlphabetic;Chemical Class;Life Sciences Standards;M;Natural Compounds;Other
• Mol File: 81-15-2.mol

Chemical Properties

• Melting Point: 235.4°C
• Boiling Point: 438.78°C (rough estimate)
• Flash Point: 2 °C
• Appearance: white to light-colored crystalline solid
• Density: 1.3226 (rough estimate)
• Vapor Pressure: 5.23E-06mmHg at 25°C
• Refractive Index: 1.5290 (estimate)
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• BRN: 2015910
• CAS DataBase Reference: Musk xylene(CAS DataBase Reference)
• NIST Chemistry Reference: Musk xylene(81-15-2)
• EPA Substance Registry System: Musk xylene(81-15-2)

Safety Data

• Hazard Codes: E,Xn,N,F
• Statements: 2-40-50/53-36-20/21/22-11
• Safety Statements: 36/37-46-60-61-16
• RIDADR: 2956
• WGK Germany: 2
• Hazardous Substances Data: 81-15-2(Hazardous Substances Data)

Usage

Uses

Used in Fragrance Industry:
Musk xylene is used as a fragrance and fixative in after shave lotions, perfumes, and other scented products for its ability to enhance and prolong the scent.
Used in Soap and Detergent Industry:
Musk xylene is a musk compound of choice for soap and detergent fragrances, providing a long-lasting and pleasant scent.
Used in Perfumery:
Musk xylene is used in various perfumery applications, including soap, Norell, oriental, chypre, and herbal fragrances.
Used in Biomarker Research:
Studies suggest that the formation of xylene musk adducts of rainbow trout hemoglobin can be potentially used as a biomarker of exposure to this synthetic compound.
Used in Chemical Production:
Musk xylene is used to make other chemicals due to its unique chemical properties as a C-nitro compound with three nitro substituents at positions 2, 4, and 6, and a tert-butyl group at position 5.

Air & Water Reactions

Highly flammable. Insoluble in water.

Reactivity Profile

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

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.

InChI:InChI=1/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

Upstream product

• 98-19-1 5-tert-Butyl-m-xylene 
• 108-38-3 m-xylene 
• 14411-55-3 1-(tert-butyl)-2,4-dimethylbenzene 
• 2040-10-0 4-tert-butyl-2,6-dimethylacetophenone 
• 6279-89-6 2-Nitro-5-tert-butyl-m-xylene 

Downstream Products

• 94135-19-0 2,4-dimethyl-benzene-1,3,5-triyltriamine 
• 207924-64-9 1-tert-butyl-3,5-dimethyl-2,4,6-triaminobenzene 
• 107342-55-2 1-tert-butyl-3,5-dimethyl-4-amino-2,6-dinitrobenzenet 
• 107342-67-6 1-tert-butyl-3,5-dimethyl-2-amino-4,6-dinitrobenzene 
• 92903-79-2 5-tert-Butyl-2,4,6-trinitro-m-tolylsaeure 
• 92644-54-7 5-tert-Butyl-2,4,6-trinitro-isophthalsaeure 

Relevant articles and documents

Method for synthesizing musk xylene from gamma-lactone byproduct azeotrope

The invention discloses a method for synthesizing musk xylene from a gamma-lactone byproduct azeotrope. The method comprises the following steps: 1, carrying out chlorination reaction on tert-butyl alcohol namely a byproduct in the production process of gamma-lactone and hydrochloric acid to obtain chloro-tert-butane; 2, carrying out a condensation reaction on chloro-tert-butane and m-xylene, neutralizing, washing with water, and distilling to recover m-xylene so as to obtain 1,3-dimethyl-5-tert-butyl benzene; and 3, carrying outnitration reaction on 1,3-dimethyl-5-tert-butyl benzene to obtain a musk xylene crude product, carrying out neutralization washing, crystallization, centrifugation and a series of separation and purification to obtain a 99% musk xylene product. An initiator di-tert-butyl peroxide used in the production process of gamma-lactone is hydrolyzed, the high-content musk xylene is prepared from the generated byproduct 80% tert-butyl alcohol and a water azeotrope starting raw material through chlorination, condensation and nitration reactions, the synthesis steps are relatively simple, and the byproduct resources are comprehensively utilized.

SUBSTITUTED NITROBENZENE DERIVATIVES AS MEDICINES AND OTHER USEFUL USES THEREOF

The present invention relates to a use of substituted nitrobenzene derivatives of general Formula I in medicine and health food, the pharmaceutical compositions comprising substituted nitrobenzene derivatives of general Formula I and the methods thereof for the prophylaxis and treatment of diseases.

Non-acid synthesis of nitro musks based on the ozone-mediated nitration using nitrogen dioxide

Three nitro musks, musk xylol 1, musk ketone 2 and musk ambrette 3, were prepared in good to moderate yield by direct polynitration of the respective aromatic materials with nitrogen dioxide in the presence of ozone.

Mild and Selective Nitration by "Claycop"

A one-pot nitration of aromatic compounds by "claycop", a reagent consisting of an acidic montmorillonite clay impregnated with anhydrous cupric nitrate, is reported.Simply by varying the conditions, it is possible to drive the reaction at will toward either mono- or polynitration.Both the yields and selectivities are superior to those obtained under homogeneous reaction conditions.

Ozone-mediated Nitration of Alkylbenzenes and Related Compounds with Nitrogen Dioxide

In the presence of ozone, nitrogen dioxide exhibits a strong nitrating ability for alkylbenzenes at low temperatures, converting them into the corresponding nitro derivatives in high yield.The addition of a protonic acid as catalyst enhances considerably the ability of this nitrating system and leads to a good yield of polynitro compounds.The reaction is clean and proceeds rapidly without any accompanying side-chain substitution or aryl-aryl coupling.It shows no kinetic dependence on the concentration of substrates and, as far as can be judged from relative reactivities and isomer distributions of products, it gives the appearance of being an electrophilic aromatic process.A possible role for nitrogen trioxide has been suggested as the initial electrophilic agent for the nitration of alkylbenzenes.

A Non-acid Methodology for Polynitration of Arenes at Low Temperatures

In the presence of ozone and an appropriate catalyst, nitrogen dioxide acts as a powerful nitrating agent at low temperatures, converting arenes into polynitro derivatives in good yields.