Methyl 4-methylbenzoate 对甲基苯甲酸甲酯

CAS 99-75-2 MFCD00008441

化学结构图

99-75-2
SMILES: COC(=O)c1ccc(C)cc1

化学属性

Mol. FormulaC9H10O2
Mol. Weight150.17
Density1.06
Flash Point90.6°C
TSCAYes
Boiling Point222.5°C at 760 mmHg
Melting Point32-35°C
Autoignition Point932 °F
Vapor Density4.7 (vs air)
Vapor Pressure1 mmHg ( 39 °C)
Solubility<0.1 G/100 ML AT 22 ºC

别名和识别编码

Chemical NameMethyl 4-methylbenzoate
CAS Number99-75-2
MDL NumberMFCD00008441
Synonym Methyl 4-methylbenzoate {LY} Methyl 4-methylbenzoate {} {LY} Methyl 4-methylbenzoate {} {} {LY} Methyl 4-methylbenzoate {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 4-methylbenzoate {} {} {} {} {
EC Number202-784-1
Beilstein Registry Number9(3)2337
PubChem Substance ID87576272
Chemical Name Translation对甲基苯甲酸甲酯
Reaxys-RN1100609
Wiswesser Line Notation1OVR D1
LabNetwork Molecule IDLN00226504
InChIInChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
Canonical SMILESO=C(OC)C1=CC=C(C)C=C1
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 有机合成。气相色谱固定液(最高使用温度100℃，溶剂为石油醚)。

相关文献及参考

  • Short: II/27B
  • Beilstein:9(3)2337
  • Short: III/35D2

安全信息

RTECSXU2150000
Safety Statements
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
  • 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；
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
GHS Symbol
WGK Germany2
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • H315 Causes skin irritation 会刺激皮肤
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Signal word
Hazard Codes Xi
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。
  • P302+P352+P332+P313+P362+P364
  • 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
  • P305+P351+P338+P337+P313
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 3800 mg/kg
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: 39(4),86,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1250 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,87,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,87,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,873,1979

TYPE OF TEST            : LD50 - Lethal dose, 50

其他信息

  • 海关编码:29163900
  • 外观性质:白色结晶。易溶于乙醇和乙醚，不溶于水。密度：1.06熔点：32℃沸点：222.5℃闪点：90℃
  • MSDS 信息:p-Toluic acid methyl ester(99-75-2).msds
  • 图谱信息:对甲基苯甲酸甲酯(99-75-2)核磁图( 13 CNMR) 对甲基苯甲酸甲酯(99-75-2)红外图谱(IR3) 对甲基苯甲酸甲酯(99-75-2)红外图谱(IR2) 对甲基苯甲酸甲酯(99-75-2)核磁图( 1 HNMR) 对甲基苯甲酸甲酯(99-75-2)红外图谱(IR1) 对甲基苯甲酸甲酯(99-75-2)质谱(MS)
  • 用途一:用作医药中间体
  • 对甲基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0297 对甲基苯甲酸甲酯 Methyl p-Toluate 25G 118元 2014/06/02 T0297 对甲基苯甲酸甲酯 Methyl p-Toluate 500G 904元 2010/06/21 414962500 对甲基苯甲酸甲酯 Methyl p-toluate 99% 250 GR 553元
  • 蒸气压:1 mm Hg ( 39 °C)
  • Sigma Aldrich:99-75-2(sigmaaldrich)
  • 下游产品:对苯二甲酸二甲酯 --> 盐酸甲基苄肼 --> 对甲酰基苯甲酸甲酯
  • Acros Organics:对甲基苯甲酸甲酯 Methyl p-toluate, 99%(99-75-2)
  • 蒸气密度:4.7 (vs air)
  • MOL 文件:99-75-2.mol
  • Alfa Aesar:对甲基甲酯,99% Methyl p-toluate, 99%(99-75-2)
  • 易溶于乙醇和乙醚，不溶于水。
  • TCI Shanghai:对甲基苯甲酸甲酯 Methyl p-Toluate,>;98.0%(GC)(99-75-2)
  • 用途二:有机合成。气相色谱固定液(最高使用温度100℃，溶剂为石油醚)。

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C8 to C9 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C6 to C7

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