| Identification | More | [Name]
Musk xylene | [CAS]
81-15-2 | [Synonyms]
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
5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE
LABOTEST-BB LT00111956
MUSK XLYENE
MUSK XYLENE
MUSK XYLOL
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-benzen
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene
1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-Benzene
1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzen
1-tert-Butyl-3,5-dimethyl-2,4,6-trinitrobenzene
1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene
1-tert-Butyl-3,5-dimethyl-2,4,6-trinitro-benzol
2,4,6-Trinitro-3,5-dimethyl-1-(1,1-dimethylethyl)-benzene
2,4,6-trinitro-3,5-dimethyl-1-tert-butylbenzene
2,4,6-Trinitro-3,5-dimethyl-tert-butylbenzene
5-t-Butyl-2,4,6-trinitro-m-xylene
5-tert-butyl-2,4,6-trinitro-m-xylen | [EINECS(EC#)]
201-329-4 | [Molecular Formula]
C12H15N3O6 | [MDL Number]
MFCD00024270 | [Molecular Weight]
297.26 | [MOL File]
81-15-2.mol |
| Chemical Properties | Back Directory | [Melting point ]
235.4°C | [Boiling point ]
438.78°C (rough estimate) | [density ]
1.3226 (rough estimate) | [refractive index ]
1.5290 (estimate) | [Fp ]
2 °C | [storage temp. ]
2-8°C | [solubility ]
Chloroform (Slightly), Ethyl Acetate (Slightly) | [form ]
Solid | [color ]
White to Pale Yellow | [Odor]
at 10.00 % in benzyl benzoate. fatty dry sweet soapy musk | [Odor Type]
musk | [BRN ]
2015910 | [Major Application]
environmental | [Cosmetics Ingredients Functions]
FRAGRANCE
PERFUMING | [InChI]
1S/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 | [InChIKey]
XMWRWTSZNLOZFN-UHFFFAOYSA-N | [SMILES]
Cc1c(c(C)c(c(c1[N+]([O-])=O)C(C)(C)C)[N+]([O-])=O)[N+]([O-])=O | [LogP]
4.369 (est) | [CAS DataBase Reference]
81-15-2(CAS DataBase Reference) | [IARC]
3 (Vol. 65) 1996 | [NIST Chemistry Reference]
2,4,6-Trinitro-1,3-dimethyl-5-t-butylbenzene(81-15-2) | [EPA Substance Registry System]
81-15-2(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
E,Xn,N,F | [Risk Statements ]
R2:Risk of explosion by shock, friction, fire or other sources 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 the eyes.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R11:Highly Flammable. | [Safety Statements ]
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/or its container must be disposed of as hazardous waste .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S16:Keep away from sources of ignition-No smoking . | [RIDADR ]
2956 | [WGK Germany ]
2 | [TSCA ]
TSCA listed | [HazardClass ]
4.1 (5-tert-BUTYL-2,4,6-TRINITRO-m-
XYLENE (MUSK XYLENE)) | [PackingGroup ]
III (5-tert-BUTYL-2,4,6-TRINITRO-m-
XYLENE (MUSK XYLENE)) | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2 | [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. | [Hazardous Substances Data]
81-15-2(Hazardous Substances Data) | [Toxicity]
The acute oral LD50 in rats was reported as >10 g/kg and the acute dermal LD50 in rabbits as > 15 g/kg (Fogleman, 1970). |
| Hazard Information | Back Directory | [General Description]
5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE(81-15-2) is a white to light-colored crystalline solid. 5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE(81-15-2) 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. | [Reactivity Profile]
Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. | [Air & Water Reactions]
Highly flammable. Insoluble in water. | [Health Hazard]
Inhalation or contact with vapors, substance or decomposition products may cause severe injury or death. May produce irritating, toxic and/or corrosive gases. Runoff from fire control may cause pollution. | [Fire Hazard]
Self-decomposition or self-ignition may be triggered by heat, chemical reaction, friction or impact. May be ignited by heat, sparks or flames. Some may decompose explosively when heated or involved in a fire. May burn violently. Decomposition may be self-accelerating and produce large amounts of gases. Vapors or dust may form explosive mixtures with air. | [Chemical Properties]
Pale Yellow Solid | [Occurrence]
Has apparently not been reported to occur in nature. | [Uses]
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. | [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). | [Application]
Musk xylene is used very widely in all types of low-cost
and ordinary fragrances for household products, for industrial purposes, inexpensive cosmetic products, etc. and it is very often
accompanied by Amylsalicylate and Cournarin, Lavandin oil or Citrus oils, or it is
the main fixative in a Pine fragrance, etc. | [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. | [Preparation]
By nitration of the corresponding benzene derivative (Bedoukian, 1967). |
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