1-(Tert-Butyl)-3,5-Dimethylbenzene 5-叔丁基间二甲苯

CAS 98-19-1 MFCD00008832

化学结构图

98-19-1
SMILES: Cc1cc(C)cc(C(C)(C)C)c1

化学属性

Mol. FormulaC12H18
Mol. Weight162.27
Refractive index1.4940 to 1.4980
Boiling Point205-206 °C at 760 mmHg
Density0.867 g/mL at 25 °C(lit.)
Flash Point72°C(lit.)
TSCAYes
Melting Point-18 °C
Appearance 液体。熔点-17℃，沸点205-206℃，200-202℃（99.4kPa），59℃（0.47kPa），相对密度0.867（20/4℃），折光率1.4964，闪点72℃。

别名和识别编码

Chemical Name1-(Tert-Butyl)-3,5-Dimethylbenzene
MDL NumberMFCD00008832
CAS Number98-19-1
Synonym 1-(Tert-butyl)-3,5-dimethylbenzene {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} { {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-(Tert-butyl)-3,5-dimethylbenzene {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7378
EC Number202-647-6
Beilstein Registry Number5,447
Chemical Name Translation5-叔丁基间二甲苯
Reaxys-RN1853314
InChIKeyFZSPYHREEHYLCB-UHFFFAOYSA-N
Wiswesser Line Notation1X1&1&R C1 E1
LabNetwork Molecule IDLN00202471
InChIInChI=1S/C12H18/c1-9-6-10(2)8-11(7-9)12(3,4)5/h6-8H,1-5H3
Canonical SMILESCC1=CC(C)=CC(C(C)(C)C)=C1
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分类

  • {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/1a Title: Densities of Liquid Systems: Nonaqueous Systems and Ternary Aqueous Systems Author: Lacmann, R.; Synowietz, C. Editor: Schäfer, Kl. Source: Landolt-Börnstein, New Series Volume: IV/1a Year: 1974 ISBN: 3-540-06269-6 ISBN: 978-3-540-06269-1 Internet Resource: DOI:10.1007/b20003 RefComment: X, 716 pages. Hardcover Abstract: Volume IV/1 contains information on the densities of liquid systems. It may be considered as a supplement to volume II/1 of the 6th Edition, which contains only a few data on nonaqueous systems. Data are not listed for all systems but primarily for those of greater interest where data for a larger range of concentrations were available.
  • Short: IV/8E Title: Densities of Aromatic Hydrocarbons Author: Wilhoit, R.C.; Hong, X.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8E Year: 1998 Keyword: organic compounds; density; liquids ISBN: 3-540-62510-0 ISBN: 978-3-540-62510-0 Internet Resource: DOI:10.1007/b62075 RefComment: X, 373 pages, with CD-ROM, Hardcover
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSZE3900000
Precautionary statements
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P370+P378
  • P305+P351+P338+P337+P313
  • P302+P350
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P302+P352+P332+
Signal word Warning
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
Hazard Codes Xi 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   28ZRAQ "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H.,
   New York, Elsevier, 1960  Volume(issue)/page/year: -,58,1960

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 上游原料:叔丁醇 --> 间二甲苯
  • MOL 文件:98-19-1.mol
  • 用途二:医药和香料的中间体。
  • Alfa Aesar:5-叔丁基间二甲苯,98% 5-tert-Butyl-m-xylene, 98%(98-19-1)
  • Sigma Aldrich:98-19-1(sigmaaldrich)
  • TCI Shanghai:5-叔丁基间二甲苯 5-tert-Butyl-m-xylene,>;98.0%(GC)(98-19-1)
  • 下游产品:二甲苯麝香 --> 酮麝香 --> 4-叔丁基-2,6-二甲基苄基氯
  • 5-叔丁基-苯乙烯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0965 5-叔丁基间二甲苯 5-tert-Butyl-m-xylene 500ML 863元 2014/06/02 B0965 5-叔丁基间二甲苯 5-tert-Butyl-m-xylene 25ML 169元 2010/05/25 A19220 5-叔丁基间二甲苯, 98% 5-tert-Butyl-m-xylene, 98% 500g 1075元
  • 图谱信息:5-叔丁基-苯乙烯(98-19-1)核磁图( 1 HNMR) 5-叔丁基-苯乙烯(98-19-1)红外图谱(IR1) 5-叔丁基-苯乙烯(98-19-1)核磁图( 13 CNMR) 5-叔丁基-苯乙烯(98-19-1)质谱(MS)
  • 方法一:由间二甲苯与叔丁醇反应而得。
  • 用途一:用作合成酮麝香的基本原料，经硝化可合成二甲苯麝香

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Arenes 芳烃

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