Muskxylene 二甲苯麝香

CAS 81-15-2 MFCD00024270

化学结构图

81-15-2
SMILES: Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]

化学属性

Mol. FormulaC12H15N3O6
Mol. Weight297
Melting Point235.4 ºC
Flash Point2 °C
Appearance 浅黄色粉状或针状结晶。熔点112.5-114.5℃,溶于乙醇0.9%、苯甲酸苄酯25%、苄醇9%及大部分油质香料。有干甜的麝香样动物香气,气势较弱但留香长。

别名和识别编码

Chemical NameMuskxylene
CAS Number81-15-2
Synonym 2,4,6-Trinitro-3,5-dimethyl-1-(1,1-dimethylethyl)-benzene {uni_hamburg} 1, musk xylene Trinitro-5-tert.butyl-m-xylol 5-tert -Butyl-2,4,6-trinitro-m-xylol Trinitro-5-tert. Butyl-m-xylol 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro-benzene 2,4,6-Trinitr Benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro- Xylenmoschus 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene m-Xylene, 5-tert-butyl-2,4,6-trinitro- ######## 1-tert-Butyl-3,5-dimethyl-2,4,6-trinitro-benzol m-Xylene, 5-tert-butyl-2,4,6-trinitro- 1-(1,1-二甲基乙基)-3,5- 1-(1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-benzen 5-t-Butyl-2,4,6-trinitro-m-xylene Benzene, 1-tert-butyl-3,5-dimethyl-2,4,6-trinitro- 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene 麝香茬 MUSK XLYENE 1-三級丁-3,5-二甲-2,4,6-三硝苯 1-tert-Butyl-3,5-dimet 2,4,6-Trinitro-1,3-dimethyl-5-tert-butylbenzene; 2,4,6-Trinitro-5-tert-butyl-1,3-xylene; 5-tert-Butyl-2,4,6-trinitro-m-xylene 二甲苯麝香 溶液 2,4,6-trinitro-5-tert-butyl-1,3-dimethylbenzene Xylolmoschus { 2,4,6-trinitro-3,5-dimethyl-1-tert-butylbenzene Xylene musk 1-(1,1-Dimethylethyl)-3,5-dimethyl-2,4,6-trinitrobenzene Benzene, 1-(1,1-dimethylethyl)-3,5-dime 2,4,6-三硝基-3,3-二甲基-5-叔丁基苯 5-TERT-BUTYL-2,4,6-TRINITRO-M-XYLENE 2,4,6-三硝基-1,3-二甲基-5-叔丁基苯 麝香二甲苯 1-tert-butyl-3,5-dimet 5-叔丁基-2,4,6-三硝基间二甲苯 1,3-Dimethyl 2,4,6-Trinitro-3,5-dimethyl-1-tert-butylbenzene
Beilstein Registry Number2015910
PubChem Substance ID62329
MDL NumberMFCD00024270
EC Number200-835-2
Chemical Name Translation二甲苯麝香
Wiswesser Line NotationWNR B1 F1 CNW ENW DX1&1&1
InChIInChI=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
LabNetwork Molecule IDLN00240778
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分类

  • {SNA} Alphabetic, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, Life Sciences Standards, M, METI - MZ, Natural Compounds, Nitro Compounds, Other
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment
  • {SNA} Additional Standards, Analytical Standards, Aromatics, Chemical Class, Chromatography, Life Sciences Standards, M-P, Natural Compounds, Nitro Compounds, Organic Pollutant Standards, Other, Volatile & Semivolatile Standards, 分析/色谱
  • {SNA} Additional Standards,

产品应用

  • 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

相关文献及参考

  • Wisneski, H.S. et al.: Cosm. Toil., 111, 73 (1996); Kafferlein, H. et al.: Crit. Rev. Toxicol., 28, 431 (1998); Mottaleb, M.A. et al.: Aquat. Toxicol., 67, 315 (2004);
  • Short: IV/1a
  • Short: IV/20C
  • Short: EINECS
  • Short: IV/20B

安全信息

GHS Symbol
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P304+P340+P312
  • P337+P313
  • P302+P352+P312
  • P403+P235
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H318 Causes serious eye damage 严重伤害眼睛
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H312 Harmful in contact with skin 皮肤接触有害
  • H302 Harmful if swallowed 吞食有害
WGK Germany2
Signal word Danger
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
UN Number 2956
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • S46 If swallowed, seek medical advice immediately and show this container or label 食入时,立即求医并出示容器/标签;
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置;
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中,参考特别指示/安全收据说明书;
Hazard Codes F,Xn E,Xn,N,F
Risk Statements
  • R11 Highly flammable 非常易燃
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
  • R36 Irritating to eyes 刺激眼睛
  • R2 Risk of explosion by shock, friction, fire or other sources of ignition 遇到震动、摩擦、火焰或者其它引燃物有爆炸危险
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
  • R50/53
Storage condition 2-8°C
Warnings 危化品目录(2015) 危险化学品
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

RTECSCZ7210000
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

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

其他信息

  • Sigma Aldrich:81-15-2(sigmaaldrich)
  • 用途一:用作皂用香精、化妆香精定香剂
  • 用途二:GB 2760--1996规定为允许使用的香料。
  • 方法二:由氯化叔丁烷在三氯化铝存在下与间二甲苯反应生成1,3-二甲基-5-叔丁基苯,再用浓硝酸硝化而得。
  • 上游原料:硝酸 --> 三氯化铝 --> 三氯化铝 --> 间二甲苯 --> 氯代叔丁烷 --> 脱水剂 --> 叔丁基苯 --> 5-叔丁基-苯乙烯
  • 用途三:价格低廉,广泛用于低档的各种类型的香精,如日用化学品和廉价化妆品用香精,作为定香剂和修饰剂,亦广泛用于香皂、香波、香粉香精中。玫瑰香型中用之甚佳。还宜用作松木香型的主要定香剂。香皂香精中用量可达用3%-6%。
  • 用途四:该品具有强烈的麝香的气味,是人造麝香中较低档的品种,但价廉易得,广泛用于化妆品香精和皂用香精中作为定香剂。在肥皂中用量为0.03-0.15%,去垢剂中0.003-0.015%,香水中0.2-0.5%,香脂和洗液中为0.01-0.05%。
  • 方法一:由氯代叔丁烷与间二甲苯在三氯化铝存在下,作用生成1,3-二甲苯-5-叔丁基苯,再在脱水剂硫酸存在下用浓硝酸硝化后,分层、分离,用碱中和后洗涤,然后减压蒸馏而得。
  • MOL 文件:81-15-2.mol
  • MSDS 信息:Musk xylene(81-15-2).msds

系列性分类


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