Musk Xylol

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Names

[ CAS No. ]:
81-15-2

[ Name ]:
Musk Xylol

[Synonym ]:
xylenemusk
MUSK XYLENE
MOSCHUS XYLOL
EINECS 201-329-4
1-t-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
MUSK XLYENE
2,4,6-trinitro-5-tert-butyl-1,3-dimethylbenzene
MFCD00024270
musk xylol
1-tert-butyl-3,5-dimethyl-2,4,6-trinitrobenzene
5-tert-butyl-1,3-dimethyl-2,4,6-trinitrobenzene
Musk xylene solution
Musk xyldl

Chemical & Physical Properties

[ Density]:
1.3±0.1 g/cm3

[ Boiling Point ]:
392.3±42.0 °C at 760 mmHg

[ Melting Point ]:
235.4°C

[ Molecular Formula ]:
C12H15N3O6

[ Molecular Weight ]:
297.264

[ Flash Point ]:
174.2±20.7 °C

[ Exact Mass ]:
297.096100

[ PSA ]:
137.46000

[ LogP ]:
3.83

[ Vapour Pressure ]:
0.0±0.9 mmHg at 25°C

[ Index of Refraction ]:
1.573

[ Storage condition ]:
2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CZ7210000
CHEMICAL NAME :
Benzene, 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
CAS REGISTRY NUMBER :
81-15-2
BEILSTEIN REFERENCE NO. :
2015910
LAST UPDATED :
199701
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C12-H15-N3-O6
MOLECULAR WEIGHT :
297.30
WISWESSER LINE NOTATION :
WNR B1 F1 CNW ENW DX1&1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Human
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 13,881,1975 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>10 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 26,656,1981
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 28,581,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>15 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BECTA6 Bulletin of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 07094) V.1- 1966- Volume(issue)/page/year: 26,656,1981 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5040 mg/kg/14D-C
TOXIC EFFECTS :
Behavioral - tremor Gastrointestinal - ulceration or bleeding from stomach Related to Chronic Data - death
REFERENCE :
ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (108),89,1990
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
21420 mg/kg/17W-C
TOXIC EFFECTS :
Related to Chronic Data - death
REFERENCE :
ESKHA5 Eisei Shikenjo Hokoku. Bulletin of the Institute of Hygienic Sciences. (Kokuritsu Eisei Shikenjo Kagaku, 18-1 Bushitsu Johobu, Setagaya-ku, Tokyo 158, Japan) V.1- 1886- Volume(issue)/page/year: (108),89,1990 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
36 gm/kg/80W-C
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors Endocrine - tumors
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 28,581,1990 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,477,1996 IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,477,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 65,477,1996 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83002 No. of Facilities: 463 (estimated) No. of Industries: 7 No. of Occupations: 29 No. of Employees: 89788 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83002 No. of Facilities: 9459 (estimated) No. of Industries: 81 No. of Occupations: 86 No. of Employees: 134413 (estimated) No. of Female Employees: 48955 (estimated)

Safety Information

[ Symbol ]:

GHS02, GHS07

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H225-H302 + H312 + H332-H319

[ Precautionary Statements ]:
P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
E,Xn,N,F

[ Risk Phrases ]:
R2

[ Safety Phrases ]:
S36/37-S46-S60-S61-S16

[ RIDADR ]:
2956

Synthetic Route

Precursor & DownStream

Precursor

  • 5-tert-Butyl-m-xylene
  • Ethanone,1-[4-(1,1-dimethylethyl)-2,6-dimethylphenyl]-
  • m-Xylene
  • Benzene,5-(1,1-dimethylethyl)-1,3-dimethyl-2-nitro-

DownStream

  • 4-AMINO-1-TERT-BUTYL-3,5-DIMETHYL-2,6-DINITROBENZENE
  • 2-AMINO-1-TERT-BUTYL-3,5-DIMETHYL-4,6-DINITROBENZENE
  • 2,6-dimethylbenzene-1,3,5-triamine

Related Compounds

  • musk 89
  • musk decenone
  • Musk xylene D15
  • musk dione
  • musk propanoate
  • musk ether
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-[(3R)-1-Prop-2-enoylpyrrolidin-3-yl]acetic acid
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide