Musk xylene

Base Information Edit

Chemical Name:Musk xylene
CAS No.:81-15-2
Molecular Formula:C12H15N3O6
Molecular Weight:297.268
Hs Code.:
European Community (EC) Number:201-329-4
NSC Number:59844
UN Number:2956
UNII:1ZAO16GU5K
DSSTox Substance ID:DTXSID1021405
Nikkaji Number:J11.689K
Wikipedia:Musk_xylene
Wikidata:Q425330
ChEMBL ID:CHEMBL228513
Mol file:81-15-2.mol

Synonyms:2,4,6-trinitro-1,3-dimethyl-5-tert-butylbenzene;2,4,6-trinitro-3,5-dimethyl-tert-butylbenzene;5-tert-butyl-2,4,6-trinitroxylene;musk xylene;musk xylol

Suppliers and Price of Musk xylene

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
MuskXylene
1g
$ 120.00

Sigma-Aldrich
Musk xylene solution 100μg/mL in acetonitrile, analytical standard
2ml
$ 71.90

Medical Isotopes, Inc.
MuskXylene
10 g
$ 1460.00

Medical Isotopes, Inc.
MuskXylene
1 g
$ 620.00

American Custom Chemicals Corporation
MUSK XYLENE 95.00%
10G
$ 2148.30

American Custom Chemicals Corporation
MUSK XYLENE 95.00%
1G
$ 716.10

Total 47 raw suppliers

Chemical Property of Musk xylene Edit

Chemical Property:

Appearance/Colour:white to light-colored crystalline solid
Vapor Pressure:5.23E-06mmHg at 25°C
Melting Point:235.4 °C
Refractive Index:1.573
Boiling Point:392.3 °C at 760 mmHg
Flash Point:174.2 °C
PSA：137.46000
Density:1.325 g/cm³
LogP:4.89510
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Ethyl Acetate (Slightly)
XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:297.09608521
Heavy Atom Count:21
Complexity:416
Transport DOT Label:Flammable Solid

Purity/Quality:

99.5% ^*data from raw suppliers

MuskXylene ^*data from reagent suppliers

Safty Information:

Pictogram(s): E， Xn， N， F
Hazard Codes:E,Xn,N,F
Statements: 2-40-50/53-36-20/21/22-11
Safety Statements: 36/37-46-60-61-16

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(=C(C(=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-])C)[N+](=O)[O-]
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). 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. 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.

Technology Process of Musk xylene

There total 8 articles about Musk xylene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 98-19-1
5-tert-Butyl-m-xylene

: 81-15-2
musk xylene

Guidance literature:: With sulfuric acid; nitric acid; at 80 - 90 ℃; for 0.5h;
DOI:10.1080/00304940409355396

Reference yield: 40.0%

: 2040-10-0
4-tert-butyl-2,6-dimethylacetophenone

: 81-15-2
musk xylene

: 81-14-1
Musk ketone

: 71850-77-6,94594-30-6
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4-dinitrobenzene

Guidance literature:: With Nitrogen dioxide; ozone; In hexane; at -10 ℃; for 1.5h;
DOI:10.1055/s-1999-3544

Reference yield:

: 108-38-3,104809-90-7
m-xylene

: 81-15-2
musk xylene

Guidance literature:: Multi-step reaction with 2 steps

1: AlCl₃

2: sulfuric acid; fuming nitric acid

With aluminium trichloride; sulfuric acid; nitric acid;