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81-15-2

Basic Information
CAS No.: 81-15-2
Name: Musk xylene
Article Data: 13
Molecular Structure:
Molecular Structure of 81-15-2 (Musk xylene)
Formula: C12H15N3O6
Molecular Weight: 297.268
Synonyms: m-Xylene,5-tert-butyl-2,4,6-trinitro- (6CI,7CI,8CI);1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene;2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene;2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene;2,4,6-Trinitro-5-tert-butyl-m-xylene;5-tert-Butyl-2,4,6-trinitro-m-xylene;Moschus xylol;Musk Xylol;NSC 59844;Xylene musk;
EINECS: 201-329-4
Density: 1.325 g/cm3
Melting Point: 235.4 °C
Boiling Point: 392.3 °C at 760 mmHg
Flash Point: 174.2 °C
Appearance: white to light-colored crystalline solid
Hazard Symbols: ExplosiveE, HarmfulXn, DangerousN, FlammableF
Risk Codes: 2-40-50/53-36-20/21/22-11
Safety: 36/37-46-60-61-16
Transport Information: UN 2956
PSA: 137.46000
LogP: 4.89510
Downstream Products
107342-67-6
107342-55-2
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Chemistry

Molecular Structure:

Molecular Formula: C12H15N3O6
Molecular Weight: 297.264
IUPAC Name: 1-Tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
Synonyms of Musk Xylol (CAS NO.81-15-2): 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene ; 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene ; 2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene ; 2,4,6-Trinitro-5-tert-butyl-m-xylene ; 4-05-00-01132 (Beilstein Handbook Reference) ; 5-tert-Butyl-2,4,6-trinitroxylene ; AI3-09017 ; BRN 2015910 ; Benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro- ; CCRIS 2391 ; EINECS 201-329-4 ; NSC 59844 ; Xylene musk ; m-Xylene, 5-tert-butyl-2,4,6-trinitro- ; 5-tert-Butyl-2,4,6-trinitro-m-xylene or musk xylene ; 5-tert-Butyl-2,4,6-trinitro-m-xylene or musk xylene [UN2956] [Flammable solid] ; UN2956
CAS NO: 81-15-2
Classification Code:  Skin / Eye Irritant ; Tumor data
Melting point: 235.4°C
Index of Refraction: 1.573
Molar Refractivity: 73.92 cm3
Molar Volume: 224.1 cm3
Surface Tension: 50.2 dyne/cm
Density: 1.325 g/cm3
Flash Point: 174.2 °C
Enthalpy of Vaporization: 61.7 kJ/mol
Boiling Point: 392.3 °C at 760 mmHg
Vapour Pressure: 5.23E-06 mmHg at 25°C

Uses

 Musk Xylol (CAS NO.81-15-2) is used to make other chemicals.

Production

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

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Food and Chemical Toxicology. Vol. 28, Pg. 581, 1990.
rabbit LD50 skin > 15gm/kg (15000mg/kg)   Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.
rat LD50 oral > 10gm/kg (10000mg/kg)   Bulletin of Environmental Contamination and Toxicology. Vol. 26, Pg. 656, 1981.

Safety Profile

Hazard Codes of Musk Xylol (CAS NO.81-15-2): ExplosiveE,HarmfulXn,DangerousN,FlammableF
Risk Statements: 2-40-50/53-36-20/21/22-11 
R2: Risk of explosion by shock, friction, fire or other source 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 eyes. 
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. 
R11: Highly flammable.
Safety Statements: 36/37-46-60-61-16 
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 its container must be disposed of as hazardous waste. 
S61: Avoid release to the environment. Refer to special instructions / safety data sheets. 
S16: Keep away from sources of ignition.
RIDADR: 2956  

 

Specification

The product should be kept  in a tightly sealed container in a cool, dry and dark place. Please keep away from ignition sources,incompatible materials and untrained individuals. Secure and label area. Prevent containers from physical damage.
All chemicals should be considered hazardous and should be avoided from direct physical contact. Please use appropriate, approved safety facilities. Untrained individuals should not handle this chemical or its container. Handling should occur in a chemical fume hood.