4-Methylbenzoic acid 对甲基苯甲酸

CAS 99-94-5 MFCD00002565

化学结构图

99-94-5
SMILES: Cc1ccc(C(=O)O)cc1

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Density1.06
Boiling Point275.3°C at 760 mmHg
Melting Point179-182°C
Flash Point124.7°C
TSCAYes
Solubility<0.1 G/100 ML AT 19 ºC
Stability对湿度敏感

别名和识别编码

Chemical Namep-Toluic Acid
MDL NumberMFCD00002565
CAS Number99-94-5
EC Number202-803-3
Beilstein Registry Number507600
Synonym p-Toluic acid {LY} p-Toluic acid p-methylbenzoate p-toluenecarboxylate p-toluic acid {} {LY} p-Toluic acid {} {} {LY} p-Toluic acid {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} p-Toluic acid
PubChem Substance ID7470
Merck Number9535
Alfabeta NameMETHYLBENZOICACID 4-
Reaxys-RN507600
Chemical Name Translation对甲基苯甲酸
Wiswesser Line NotationQVR D1
LabNetwork Molecule IDLN00226915
InChIInChI=1S/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
Canonical SMILESO=C(O)C(C=C1)=CC=C1C
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; 1fragment
  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 测定钍。分离钙和锶。有机合成。 可作医药、感光材料、农药、有机颜料的中间体。

相关文献及参考

  • Short: II/27B
  • Beilstein:9,483
  • Short: II/27C

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
  • 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;
  • S36/37/39 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;
  • 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;
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
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • 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。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • 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。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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+P317
  • P302+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • 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。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P313
  • P332+P317
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSXU1575000
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Hazard Codes Xn
Warnings IRRITANT
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • 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
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 {} {} {} {} {} {} {} {} {} {} {
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 874 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Cardiac - EKG changes not diagnostic of specified effects
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 12,1893,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 916 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Cardiac - EKG changes not diagnostic of specified effects
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 12,1893,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2340 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Cardiac - EKG changes not diagnostic of specified effects
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   KSRNAM Kiso to Rinsho.  Clinical Report.  (Yubunsha Co., Ltd., 1-5, Kanda
   Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan)  V.1-    1960-
   Volume(issue)/page/year: 12,1893,1978

其他信息

  • 海关编码:29163900
  • 用途一:主要用于制造止血芳酸、对甲腈、对甲苯甲酰氯、感光材料等
  • 下游产品:对溴甲基苯甲酸 --> 对氯甲基苯甲酸 --> 对甲基苯甲酰氯 --> 4-羟基-3-甲基苯甲酸 --> 2,3,5,6-四氟-4-甲基苯甲醇 --> 对溴甲基苯甲酰溴 --> O,O-二异丙基-O-(4-(甲基亚磺酰基)苯基)硫代磷酸酯
  • Alfa Aesar:对甲苯甲酸,98% p-Toluic acid, 98%(99-94-5)
  • 检测方法:T,NMR,HPLC
  • 图谱信息:对甲基苯甲酸(99-94-5)红外图谱(IR1) 对甲基苯甲酸(99-94-5)核磁图( 13 CNMR) 对甲基苯甲酸(99-94-5)红外图谱(IR2) 对甲基苯甲酸(99-94-5)质谱(MS) 对甲基苯甲酸(99-94-5)核磁图( 1 HNMR) 对甲基苯甲酸(99-94-5)Raman光谱
  • MSDS 信息:对甲苯甲酸(99-94-5).msds
  • 对甲基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30180829 对甲苯甲酸;4-甲基苯甲酸;对叨甲酸;对甲苯酸 100g 51.9元 2011/08/23 30180826 对甲苯甲酸;4-甲基苯甲酸;对叨甲酸;对甲苯酸 100g 101元 2011/08/23 K8990201 对甲苯甲酸;4-甲基苯甲酸;对叨甲酸;对甲苯酸 50g 314元
  • 外观性质:白色粉末。
  • 无气味。易溶于乙醇、乙醚和甲醇,微溶于热水。。低毒,半数致死量(大鼠,经口)3200mg/kg。
  • 用途三:测定钍。分离钙和锶。有机合成。 可作医药、感光材料、农药、有机颜料的中间体。
  • 标准值 不确定度 单位
  • 用途二:可作医药、感光材料、农药、有机颜料的中间体。
  • 方法一:1.由对二甲苯用空气催化氧化制得。当采用常压法时,可将二甲苯和环烷酸钴加入反应锅,加热到90℃时开始通入空气,温度控制在110-115℃,反应24h左右,约5%对二甲苯转化为对甲基苯甲酸。冷至室温,过滤,滤饼用对二甲苯洗涤,干燥,得对甲基苯甲酸。而对二甲苯循环使用。收率30-40%。采用加压氧化法时,反应温度为125℃,以0.25MPa的压力,1h通气量250L,反应6h。然后用水蒸气蒸馏出未反应的二甲苯,将氧化料用浓盐酸酸化至pH值为2。搅拌冷却,过滤。滤饼用对二甲苯浸泡后再过滤,干燥得对甲基苯甲酸,含量96%以上,对二甲苯单程转化率40%,收率为60-70%。2.由对异丙基甲苯用硝酸氧化制得。将20%的硝酸和对异丙基甲苯混合,搅拌升温至80-90℃,反应4h,再升温至90-95℃反应6h。冷却,过滤,滤饼用甲苯重结晶得对甲基苯甲酸,收率为50-53%。另外,用浓硝酸氧化对二甲苯,反应30h,也可制得,收率为58%。
  • 上游原料:硝酸 --> 氧 --> 浓盐酸 --> 对二甲苯 --> 环烷酸钴 --> 4-异丙基甲苯
  • TCI Shanghai:对甲苯甲酸 p-Toluic Acid,>;98.0%(GC)(T)(99-94-5)
  • Sigma Aldrich:99-94-5(sigmaaldrich)
  • Acros Organics:4-甲基苯甲酸 p-Toluic acid, 98%(99-94-5)
  • MOL 文件:99-94-5.mol

系列性分类


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