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
• Article Data: 7

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

Chemical Properties

Pale Yellow Solid

Occurrence

Has apparently not been reported to occur in nature.

Uses

Different sources of media describe the Uses of 81-15-2 differently. You can refer to the following data:
1. 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).
2. 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 used as biomarker of exposure.
3. 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.

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.

General Description

Musk xylene is a white to light-colored crystalline solid. Musk xylene 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.

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

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

Downstream Products

• 107342-55-2 1-tert-butyl-3,5-dimethyl-4-amino-2,6-dinitrobenzenet 
• 94135-19-0 2,4-dimethyl-benzene-1,3,5-triyltriamine 
• 207924-64-9 1-tert-butyl-3,5-dimethyl-2,4,6-triaminobenzene 
• 107342-67-6 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.

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.