Dimethyl isophthalate 间苯二甲酸二甲酯

CAS 1459-93-4 MFCD00008433

化学结构图

1459-93-4
SMILES: COC(=O)c1cccc(C(=O)OC)c1

化学属性

Mol. FormulaC10H10O4
Mol. Weight194.18
Melting Point64-68 °C
Density1.1477
Flash Point138°(280°F)
TSCAYes
Boiling Point285 °C at 760 mmHg
Vapor Density6.8 (vs air)
Vapor Pressure93.7 mmHg ( 208 °C)
Solubility不溶
Refractive index1.5168
Appearance 间苯二甲酸二甲酯(1459-93-4)为白色针状结晶。熔点67.8-68.3℃，沸点282℃，124℃（1.6kPa），相对密度1.194（20/4℃），折光率1.5168。溶于甲醇、乙醇，不溶于水。

别名和识别编码

Chemical NameDimethyl isophthalate
CAS Number1459-93-4
PubChem Substance ID15088
EC Number215-951-9
Beilstein Registry Number1912251
MDL NumberMFCD00008433
Reaxys-RN1912251
Synonym Dimethyl isophthalate {LY} Dimethyl isophthalate {} {LY} Dimethyl isophthalate {} {} {LY} Dimethyl isophthalate {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dimethyl isophthalate {} {} {} {} {} {}
Chemical Name Translation间苯二甲酸二甲酯
Wiswesser Line Notation1OVR CVO1
LabNetwork Molecule IDLN00224981
InChIInChI=1S/C10H10O4/c1-13-9(11)7-4-3-5-8(6-7)10(12)14-2/h3-6H,1-2H3
Canonical SMILESO=C(C1=CC=CC(C(OC)=O)=C1)OC
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分类

  • Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

产品应用

  • 用于合成间苯二甲酸二苯酯，作为PBT耐热聚合物的单体，用于其他有机合成，作气相色谱固定液。

相关文献及参考

  • Short: III/35D2
  • Beilstein:9(3)4241

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H320 Causes eye irritation 刺激眼睛
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xi
RTECSNT2540000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P305+P351+P338
Signal word Warning
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；
  • 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
  • R36 Irritating to eyes 刺激眼睛
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 971 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - ptosis
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 56,1446,1967

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • Sigma Aldrich:1459-93-4(sigmaaldrich)
  • Acros Organics:间苯二甲酸二甲酯 Dimethyl isophthalate, 99%(1459-93-4)
  • MOL 文件:1459-93-4.mol
  • 图谱信息:间苯二甲酸二甲酯(1459-93-4)质谱(MS) 间苯二甲酸二甲酯(1459-93-4)核磁图( 1 HNMR) 间苯二甲酸二甲酯(1459-93-4)红外图谱(IR2) 间苯二甲酸二甲酯(1459-93-4)Raman光谱 间苯二甲酸二甲酯(1459-93-4)红外图谱(IR3) 间苯二甲酸二甲酯(1459-93-4)核磁图( 13 CNMR) 间苯二甲酸二甲酯(1459-93-4)红外图谱(IR1)
  • 方法一:由间苯二甲酸与甲醇酯化而得。将间苯二甲酸、甲醇、硫酸搅拌加热，回流20h。反应结束后回收甲醇，反应物用碳酸钠溶液中和至pH值为7-8，过滤，干燥，即得成品。
  • 用途二:用于合成间苯二甲酸二苯酯，作为PBT耐热聚合物的单体，用于其他有机合成，作气相色谱固定液。
  • Alfa Aesar:间苯二甲酸二甲酯,98% Dimethyl isophthalate, 98%(1459-93-4)
  • 下游产品:含磺酸酯基聚酯类液晶离聚物 --> 3-甲醛苯甲酸甲酯 --> 间苯二甲酰氯 --> 间苯二甲酸二苯酯
  • MSDS 信息:Dimethyl isophthalate(1459-93-4).msds
  • 间苯二甲酸二甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0157 间苯二甲酸二甲酯 Dimethyl Isophthalate 25G 111元 2014/06/02 I0157 间苯二甲酸二甲酯 Dimethyl Isophthalate 500G 279元 2010/06/21 186510025 间苯二甲酸二甲酯 Dimethyl isophthalate 99% 2.5 KG 1693元
  • 用途一:用于合成间苯二甲酸二苯酯，作为PBT耐热聚合物的单体，也用于其他有机合成
  • 上游原料:间苯二甲酸
  • 溶于甲醇、乙醇，不溶于水。
  • 蒸气压:93.7 mm Hg ( 208 °C)
  • 蒸气密度:6.8 (vs air)
  • TCI Shanghai:间苯二酸二甲酯 Dimethyl Isophthalate,>;99.0%(GC)(1459-93-4)
  • 海关编码:29173980

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. C10 to C11 - 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
  1. Materials Science 材料科学
  2. Plasticizer

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