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| CAS No.: | 81-15-2 |
|---|---|
| Name: | Musk xylene |
| Article Data: | 13 |
| Molecular Structure: | |
|
|
|
| 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: |
 E，  Xn，  N，  F
|
| 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 |
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Chemistry
Molecular Structure:
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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): 
E,
Xn,
N,
F
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.