Dibutyl adipate 己二酸二丁酯

CAS 105-99-7 MFCD00009451

化学结构图

105-99-7
SMILES: CCCCOC(=O)CCCCC(=O)OCCCC

化学属性

Mol. FormulaC14H26O4
Mol. Weight258.35
Density0.962
Boiling Point305 °C at 760 mmHg
Refractive index1.4330 to 1.4360
Flash Point166°C(lit.)
Melting Point-32 °C
Solubility不溶于水,溶于醇、醚。

别名和识别编码

Chemical NameDibutyl Adipate
MDL NumberMFCD00009451
PubChem Substance ID7784
CAS Number105-99-7
EC Number203-350-4
Reaxys-RN1790739
Beilstein Registry Number2(4)1961
Synonym Dibutyl adipate {LY} Dibutyl adipate dibutyl adipate {} {LY} Dibutyl adipate {} {} {LY} Dibutyl adipate {} {} {} {LY} Dibutyl adipate {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Dibutyl adipate {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation己二酸二丁酯
Wiswesser Line Notation4OV4VO4
LabNetwork Molecule IDLN00193853
InChIInChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
Canonical SMILESCCCCOC(=O)CCCCC(=O)OCCCC
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • Materials Science, Plasticizers, Polymer Additives, Polymer Science
  • {SNA} Plasticizers, Polymer Additives, Polymer Science, 材料科学
  • {SNA} Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, D, DIA - DIC, Environmental Standards, Volatiles/ Semivolatiles

产品应用

  • 作有机合成中间体。

相关文献及参考

  • Short: IV/18B
  • Beilstein:2(4)1961
  • Short: IV/20B
  • Short: III/38B
  • Short: IV/16

安全信息

WGK Germany1
RTECSAV0900000
Personal Protective Equipment Eyeshields, Gloves
Safety Statements
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
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前,切勿操作。
  • P203
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P308+P313
  • P318
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Class9
UN Number 3082
Signal word
Hazard statements
  • H361 Suspected of damaging fertility or the unborn child 怀疑对生育能力或未出生婴儿造成伤害
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Packing GroupIII
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5244 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 62,1596,1973

TYPE OF TEST            : LC - Lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >17 mg/m3/4H
TOXIC

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 16890 mg/kg
TOXIC EFFECTS :
   Blood - other changes
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 55(6),86,1990

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 12900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   28ZEAL "Pesticide Index," Frear, E.H., ed., State College, PA, College
   Science Pub., 1969  Volume(issue)/page/year: 5,72,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 20 mL/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.
   Volum

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1049 mg/kg
SEX/DURATION            : female 5-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 62,1596,1973

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 1748 mg/kg
SEX/DURATION            : female 5-15 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - other developmental
   abnormalities
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 62,1596,1973

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MOL 文件:105-99-7.mol
  • 图谱信息:己二酸二丁酯(105-99-7)核磁图( 1 HNMR) 己二酸二丁酯(105-99-7)Raman光谱 己二酸二丁酯(105-99-7)质谱(MS) 己二酸二丁酯(105-99-7)核磁图( 13 CNMR) 己二酸二丁酯(105-99-7)红外图谱(IR1)
  • Sigma Aldrich:105-99-7(sigmaaldrich)
  • TCI Shanghai:己二酸二丁酯 Dibutyl Adipate,>;99.0%(GC)(105-99-7)
  • 用途一:用作增塑剂、特种溶剂等
  • 用途三:作有机合成中间体。
  • 毒性分级:低毒
  • 用途二:用作溶剂,也用于有机合成
  • 储运特性:包装完整、轻装轻卸; 库房通风、远离明火、高温、与氧化剂分开存放
  • 类别:易燃液体
  • 外观性质:无色透明液体。
  • MSDS 信息:己二酸二丁酯(105-99-7).msds
  • 己二酸二丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30054528 己二酸二丁酯;己二酸丁酯; 肥酸丁酯 500ml 78元 2011/04/16 A0655 己二酸二丁酯 Dibutyl Adipate 500ML 655元 2011/04/16 A0655 己二酸二丁酯 Dibutyl Adipate 25ML 208元
  • 可燃性危险特性:遇明火、高温、强氧化剂可燃; 燃烧排放刺激液体
  • 灭火剂:泡沫、干粉、二氧化碳、砂土
  • 方法一:由己二酸与正丁醇反应而得。
  • 刺激数据:皮肤- 兔子 10 毫克/ 24小时 轻度; 眼- 兔子 500 毫克/ 24小时 轻度
  • 急性毒性:口服- 大鼠 LD50:12900 毫克/ 公斤; 口服- 小鼠 LD50:16890 毫克/ 公斤
  • 溶于乙醚和乙醇,不溶于水。
  • 职业标准:STEL 5 毫克/ 立方米
  • 上游原料:正丁醇 --> 己二酸

系列性分类


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