1,2,4-Trimethylbenzene 1,2,4-三甲基苯

CAS 95-63-6 MFCD00008527

化学结构图

95-63-6
SMILES: CC1CCC(C)C(C)C1

化学属性

Mol. FormulaC9H12
Mol. Weight120.19
Density0.876 g/mL at 20 °C(lit.)
Refractive index1.5040 to 1.5060
Autoignition Point959 °F
Vapor Density4.1 (vs air)
Boiling Point169°C
Vapor Pressure4.5 mmHg ( 37.7 °C)
Melting Point-44 °C(lit.)
Flash Point44°C(lit.)
TSCAYes
Solubility不溶于水，溶于乙醇、乙醚、苯。

别名和识别编码

Chemical Name1,2,4-Trimethylbenzene
CAS Number95-63-6
EC Number202-436-9
Beilstein Registry Number5(4)1010
MDL NumberMFCD00008527
Synonym 偏三甲苯 psi-Cumene Methyl-p-xylene Pseudocumene ψ-Cumene Benzene, 1,2,5-trimethyl- 假枯烯 三甲苯 1,2,4-三甲基苯 1,2,4-三甲苯 Pseudocumol 1,2,4-Trimethyl benzene 1，2，4-三甲基苯 1,2,4-trimethylbenzene--benzene,1,2,4-trimethyl- 假【草(之上)+久】 Benzene,1,2,4-trimethyl- 1,2,4-trimethyl-benzene Asymmetrical trimethylbenzene Pseudocumene-1,2,4-trimethylbenzene asymmetricaltrimethylbenzene 1,3,4-Trimethylbenzene trimethyl-1,2,4benzene 1,2,4-三甲苯;偏三甲苯;假枯烯;1,2,4-三甲基苯 1,2,5-trimethyl-benzen 1,2,4-TRIMETHYLBENZENE benzene, 1,2,4-trimethyl- 偏三甲苯,假枯烯,1,2,4-三甲基苯 As-Trimethylbenzene PSI-CUMENE 1,3,4-TRIMETHYLBENZENE PSEUDOCUMOL 1,2,4-三甲基苯(偏三甲苯) C9H12 (1,2,4-trimethyl-benzene) TRIMETHYLBENZENE 偏三甲苯;假枯烯;1,2,4-三甲基苯 as-Trimethylbenzene PSC 1,2,4-trimethylbenzene (pseudocumene) 1,2,4-trimethylbenzene(1,2,4-tmb) pseudocumene 假茴香油素 PSEUDOCUMENE 1,2,4-trimethyl-benzen 1,2,4-Trimethylbenzol 1,2,5-Trimethylbenzene 1,2,4-trimethylbenzene
PubChem Substance ID87576412
Merck Number7915
Chemical Name Translation1,2,4-三甲基苯
Reaxys-RN1903005
Wiswesser Line Notation1R B1 D1
InChIInChI=1S/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
LabNetwork Molecule IDLN00195119
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分类

  • {SNA} Arenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography,
  • {SNA} Additional Standards, Alpha Sort, Analytical Standards, Aromatics, Chemical Class, Chromatography, Environmental Standards, Hydrocarbons, Neats and Solutions, Organic Pollutant Standards, T-Z, Volatiles & Semivolatiles, Volatiles/ Semivolatiles, 分析/色谱
  • {SNA} Alphabetical Index of Analytical Standards, Ch

产品应用

  • 用于生产医药（维生素E）、染料、合成树脂及双氧水。

相关文献及参考

  • Merck: 14,7915 Beilstein: 5,IV,1010
  • Short: II/3
  • Short: II/5
  • Merck: 14,7915
  • Short: III/35D2

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany2
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；
  • 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；
  • S62 If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label where possible 吞食后不要催吐：立即求医并出示该容器或标签；
  • S7 Keep container tightly closed 保存在严格密闭容器中；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
Risk Statements
  • R51/53
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20 Harmful by inhalation 吸入有害
  • R39/23/24/25 Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed 毒性：吸入，皮肤接触和吞食都会产生十分严重的不可逆危险
  • R23/24/25 Toxic by inhalation, in contact with skin and if swallowed 吸入，皮肤接触及吞食都有毒
  • R11 Highly flammable 非常易燃
  • R65 Harmful: may cause lung damage if swallowed 若吞咽可能伤害肺部器官
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P301+P310+P331
  • P302+P352+P332+P313+P362+P364
  • P303+P361+P353
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • 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
  • P370+P378
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H304 May be fatal if swallowed and enters airways 吞食和进入呼吸道可能致命
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H332 Harmful if inhaled 吸入有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDC3325000
Packing GroupIII
UN Number 1230 3295 UN 3295 3/PG 3 UN3295
Hazard Codes Xn;N Xn,N,F,Xi,T Xn,N
Storage condition 储存温度2-8℃ 2-8°C
Hazard Class3
Warnings 危化品目录(2015) 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1752 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,1258,1989

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 1788 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 9,227,1954

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 18 gm/m3/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 44(5),15,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
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 :
   85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J.,
   Prague, Czechoslovakia, Avicenum, 1986  Volume(issue)/page/year: -,34,1986

Restrict 危险品

其他信息

  • Alfa Aesar:1，2，4-三甲基苯,98% 1,2,4-Trimethylbenzene, 98%(95-63-6)
  • MOL 文件:95-63-6.mol
  • 1,2,4-三甲基苯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 40060361 1，2，4-三甲苯;假茴香油素 2ml 106元 2011/04/16 S0662 1,2,4-三甲基苯(1mg/ml的甲醇溶液)[用于水分析] 1,2,4-Trimethylbenzene (1mg/ml in Methanol) [for Water Analysis] 1ML 198元 2011/04/16 T0469 1,2,4-三甲苯 1,2,4-Trimethylbenzene 25ML 160元
  • 上游原料:石脑油
  • 用途二:本品为基本有机化工原料，可用于生产医药（维生素E）、染料与合成树脂。还可制偏苯三酸酐、均苯四甲酸
  • 方法一:催化重整或石脑油裂解所得C9-C10芳烃中，均含有混合三甲苯，如1,2,4-三甲苯。以重整芳烃为例，其中1,2,4-三甲苯含量高达40%以上。采用蒸馏的方法可以得到纯度99%以上的产品，例如采用两座浮阀塔（共200层）从重整芳烃中分离1,2,4-三甲苯，纯度95-97%，收率58-78%。
  • 蒸气密度:4.1 (vs air)
  • 灭火剂:泡沫、干粉、二氧化碳、砂土
  • Hazard Note:Irritant/Flammable
  • 用途二:本品为基本有机化工原料，可用于生产医药（维生素E）、染料与合成树脂。还可制偏苯三酸酐、均苯四甲酸二酐、水溶性醇酸树脂、不饱
  • 职业标准:TLV-TWA 25 PPM
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激烟雾
  • 急性毒性:口服- 大鼠 LD50: 5000 毫克/ 公斤
  • 毒性分级:中毒
  • 类别:易燃液体
  • 挥发性有机化合物(VOCs)单组分标准液
  • 不溶于水，溶于乙醇、乙醚、苯。
  • 图谱信息:1,2,4-三甲基苯(95-63-6)Raman光谱 1,2,4-三甲基苯(95-63-6)核磁图( 1 HNMR) 1,2,4-三甲基苯(95-63-6)质谱(MS) 1,2,4-三甲基苯(95-63-6)红外图谱(IR1) 1,2,4-三甲基苯(95-63-6)核磁图( 13 CNMR) 1,2,4-三甲基苯(95-63-6)红外图谱(IR2)
  • MSDS 信息:1,2,4-三甲基苯(95-63-6).msds
  • 用途三:用于生产医药（维生素E）、染料、合成树脂及双氧水。
  • 下游产品:均三甲苯 --> 偏苯三酸酐 --> 1-(4-吡啶基)哌嗪 --> 1,2,4,5-四甲苯 --> 1,2,4-苯三甲酸 --> 均苯四甲酸二酐 --> 4-羟基咔唑 --> 三甲基氢醌 --> 2,3,5-三甲基-2,5-环己二烯-1,4-二酮 --> 屈 --> 2,4,5-三甲基苯磺酸 --> 均苯四甲酸
  • 用途一:用于生产PVC塑料增塑剂偏苯三酸三辛酯、粉末涂料、电机耐温绝缘漆等
  • Sigma Aldrich:95-63-6(sigmaaldrich)
  • Acros Organics:1，2，4-三甲基苯(偏三甲苯) 1,2,4-Trimethylbenzene, 98%(95-63-6)
  • TCI Shanghai:1,2,4-三甲基苯(1mg/ml的甲醇溶液)[用于水分析] 1,2,4-Trimethylbenzene (1mg/ml in Methanol) [for Water Analysis](95-63-6)
  • 蒸气压:4.5 mm Hg ( 37.7 °C)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  1. Chemical Synthesis 化学合成
  2. Organometallic Reagents 金属有机试剂
  3. Grignard Reagents 格氏试剂
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Aromatics - Chemical Class
  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. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. T - Alphabetic
  5. TP - TZ - T
  1. Analytical & Chromatography 分析化学与色谱
  2. Solvents 溶剂
  3. Anhydrous Grade Solvents 超干溶剂

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