Tributyl 2-hydroxypropane-1,2,3-tricarboxylate 柠檬酸三正丁酯

CAS 77-94-1 MFCD00027217

化学结构图

77-94-1
SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC

化学属性

Mol. FormulaC18H32O7
Mol. Weight360.45
Density1.040
Refractive index1.4440 to 1.4460
Flash Point157°C
TSCAYes
Boiling Point389.8°C at 760 mmHg
Melting Point-20°C
Solubility不溶
Stability对湿度敏感
Appearance 无色油状液体，微有气味。 不溶于水，溶于甲醇、丙酮、四氯化碳、冰醋酸、蓖麻油、矿物油等有机溶剂。

别名和识别编码

Chemical NameTributyl 2-hydroxypropane-1,2,3-tricarboxylate
Synonym Tributyl citrate {LY} Tributyl citrate {} {LY} Tributyl citrate {} {} {LY} Tributyl citrate {} {} {} {LY} Tributyl citrate {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Tributyl citrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00027217
CAS Number77-94-1
PubChem Substance ID6507
Beilstein Registry Number1806072
EC Number201-071-2
Merck Number1564
Reaxys-RN1806072
Chemical Name Translation柠檬酸三正丁酯
LabNetwork Molecule IDLN00194121
InChIInChI=1S/C18H32O7/c1-4-7-10-23-15(19)13-18(22,17(21)25-12-9-6-3)14-16(20)24-11-8-5-2/h22H,4-14H2,1-3H3
Canonical SMILESO=C(CC(C(OCCCC)=O)(O)CC(OCCCC)=O)OCCCC
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分类

  • {SNA} Analytical Standards, Pharmacopeia Metrological Institutes Standards, USP Standards, USP Standards S - T, 分析/色谱
  • {SNA} Analytical Standards,
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Standards,
  • {SNA} Analytical Standards
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards
  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Additional Standards,
  • {SNA} Additional Standards, Analytical Standards, Chromatography, Pharmaceutical Secondary Standards, Pharmaceutical Standards,

产品应用

  • 气相色谱固定液(最高使用温度150℃，溶剂为甲醇)分离分析酯，芳香烃。增塑剂、消泡剂。

相关文献及参考

  • Merck: 14,1564 Beilstein: 3,IV,1276
  • Merck: 14,1564

安全信息

WGK Germany1
RTECSTZ8608000
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
  • 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；
  • 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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
  • 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）；
Signal word Warning
GHS Symbol
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
  • R25 Toxic if swallowed 吞咽有毒
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。
  • 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。
  • P305+P351+P338
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Hazard Codes T
UN Number UN 2811 6.1/PG 2 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2900 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Vascular - other changes
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 53,774,1964

Hazard statements
  • H318 Causes serious eye damage 严重伤害眼睛
  • H400 Verytoxictoaquaticlife 对水生生物毒性非常大。

其他信息

  • Acros Organics:柠檬
  • 海关编码:29181500
  • Sigma Aldrich:77-94-1(sigmaaldrich)
  • 柠檬酸三丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30182628 柠檬酸三丁酯 500ml 76.2元 2011/08/23 40059060 柠檬酸三丁酯 25ml 11.9元 2011/08/23 40059061 柠檬酸三丁酯 25ml 35元
  • MSDS 信息:Tri-n-butyl citrate(77-94-1).msds
  • 用途四:气相色谱固定液(最高使用温度150℃，溶剂为甲醇)分离分析酯，芳香烃。增塑剂、消泡剂。
  • 概述:柠檬酸三丁酯（TBC）是一种良好的环保增塑剂、润滑剂。常温下为无毒、有果香味、無色透明油狀液体。沸点170℃（133.3Pa），闪点（开杯）185℃。溶于多数有机溶剂。挥发性小，与树脂的相容性好，增塑效率高，在欧美等国家允许用于食品包装和医疗卫生制品，以及儿童软质玩具、制药、医用制品、香精香料、化妆品制造等行业。可赋于制品良好的耐寒性、耐水性和抗霉性。树脂经本品增塑后呈现良好的透明性
  • 新型无毒塑料增塑剂:目前工业上常用的增塑剂是邻苯二甲酸酯类,因其可诱发致癌,国外已严格控制使用,我国也制定了相关法规,将逐步淘汰其在食品包装材料、医药器具玩具中的使用。柠檬酸三丁酯(TBC)是一种新型无毒塑料增塑剂,因具有相溶性好、增塑效率高、无毒不易挥发、耐侯性强等特点而广受关注,成为首选替代邻苯二甲酸酯类的绿色环保产品。随着人们环保意识的增强以及环保法规的日益完善,开发生产柠檬酸三丁酯具有极好的的发展前景。 柠檬酸三丁酯通常是由柠檬酸和正丁醇在催化剂作用下酯化而成,传统的催化剂是浓硫酸,虽然它价格低、催化活性高,但存在设备腐蚀严重、后处理工艺复杂、反应选择差、环境污染严重等弊端,因而寻求可替代浓硫酸的催化剂研究相当活跃,目前已经发现了很多催化效果较好的催化剂: 【硫酸氢钠催化合成柠檬酸三丁酯】 一水合硫酸氢钠是强离子型化合物,经研究发现,它易溶于水,水溶液呈强酸性,但不溶于有机酸和醇反应体系,可作为酯化反应的催化剂,研究表明该催化剂具有催化活性高、稳定性好、收率高、易于分离、合成方法简便、无腐蚀、无污染等优点。 【固体超强酸催化合成】 超强酸是酸强度比100%硫酸更强的酸。研究表明用它作为酯化反应的催化剂具有选择性好,反应速度快,收率高,易分离,操作方便,催化剂稳定,能重复使用,不腐蚀设备,无污染,是一种具有发展前途的催化剂。 【对甲苯磺酸催化合成】 对甲苯磺酸是一种强有机酸,用它代替浓硫酸作为酯化反应的催化剂对设备的腐蚀和三废污染要比硫酸小得多,活性高、选择性好、价廉易得、用量少、产品色泽好,是一种适合工业生产的催化剂。 【杂多酸催化合成柠檬酸三丁酯】 杂多酸是多元质子强酸,其酸性越强,越有利于盐的形成,为其他亲核基团的进攻提供了更有利的条件,从而加快酯化反应速度.它具有不挥发、热稳定性好、污染小并能减轻对设备的腐蚀,是比较理想的酯化反应催化剂。
  • TCI Shanghai:柠檬酸三正丁酯 Tributyl Citrate,>;98.0%(GC)(77-94-1)
  • 用途三:用于聚氯乙烯，聚乙烯共聚物和纤维素树脂的增塑剂。
  • 用途二:用作气相色谱固定液、塑料的韧化剂、泡沫去除剂及硝酸纤维的溶剂
  • MOL 文件:77-94-1.mol
  • Alfa Aesar:柠檬酸三正丁基酯,99% Tri-n-butyl citrate, 99%(77-94-1)
  • 图谱信息:柠檬酸三丁酯(77-94-1)核磁图( 13 CNMR) 柠檬酸三丁酯(77-94-1)核磁图( 1 HNMR) 柠檬酸三丁酯(77-94-1)Raman光谱 柠檬酸三丁酯(77-94-1)红外图谱(IR2) 柠檬酸三丁酯(77-94-1)质谱(MS) 柠檬酸三丁酯(77-94-1)红外图谱(IR1)
  • 用途一:主要用作乙烯基树脂和纤维素树脂的增塑剂
  • 溶于多数有机溶剂，不溶于水。本品挥发性小，无气味，与树脂的相容性好，增塑效果高。可赋于制品良好的耐寒性、耐水性和抗霉性。无毒

系列性分类

  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Lipids - Biochemicals and Reagents
  4. Fatty Acyls - Lipids
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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. Carboxylic Acids - 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
  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. C12 to C63 - 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 - Carbonyl Compounds
  6. C12 to C63 - Esters
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Pharmaceutical Standards - Chromatography
  5. Pharmaceutical Secondary Standards - Pharmaceutical Standards
  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. C10 to C11
  1. Materials Science 材料科学
  2. Plasticizer