Butyl Cinnamate 肉桂酸丁酯

CAS 538-65-8 MFCD00051560

化学结构图

538-65-8
SMILES: CCCCOC(=O)C=Cc1ccccc1

化学属性

Mol. FormulaC13H16O2
Mol. Weight204.26
Density1.028
Refractive index1.5420
Flash Point90°(194°F)
TSCAYes
Boiling Point143-144 °C at 12 mmHg

别名和识别编码

Chemical NameButyl Cinnamate
Synonym N-Butyl cinnamate {LY} N-Butyl cinnamate {} {LY} N-Butyl cinnamate {} {} {LY} N-Butyl cinnamate {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} N-Butyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00051560
CAS Number538-65-8
EC Number208-699-6
Merck Number14,2299
Beilstein Registry Number2328067
Chemical Name Translation肉桂酸丁酯
Wiswesser Line Notation4OV1U1R
LabNetwork Molecule IDLN02139253
PubChem Substance ID5273465
InChIInChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+
Canonical SMILESO=C(/C=C/C1=CC=CC=C1)OCCCC
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分类

  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment

相关文献及参考

  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSGD8425000
Risk Statements
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/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: 18,655,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/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: 18,655,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 7 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   APFRAD Annales Pharmaceutiques Francaises.  (SPPIF, B.P.22, F-41353 Vineuil,
   France)  V.1-    1943-  Volume(issue)/page/year: 14,370,1956

WGK Germany2
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

  • 急性毒性:口服-大鼠 LD50: >; 5000 毫克/公斤; 口服-小鼠 LD50: 7000 毫克/公斤
  • Alfa Aesar:正丁基肉桂酸酯,98% n-Butyl cinnamate, 98%(538-65-8)
  • 类别:有毒物质
  • 参考质量标准:FAO/WHO,2001 含量(OT-18-1,当量因子e=102.14) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.539~1.545 相对密度(d 25 25 ) 1.008~1.014
  • 毒性分级:低毒
  • FEMA:2192
  • 肉桂酸丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L07362 正丁基肉桂酸酯, 98% n-Butyl cinnamate, 98% 50g 588元 2010/05/25 L07362 正丁基肉桂酸酯, 98% n-Butyl cinnamate, 98% 250g 2100元
  • 灭火剂:水, 干粉, 二氧化碳, 泡沫
  • MOL 文件:538-65-8.mol
  • 可燃性危险特性:热分解排出辛辣刺激烟雾
  • 使用限量:FEMA(mg/kg):饮料0.83;冰淇淋2.6;糖果和焙烤制品1.5;含醇饮料2.0。 适量为限(FDA,§172.515,2001)。
  • 刺激数据:皮肤-兔 500 毫克/24小时 中度
  • 储运特性:库房低温干燥通风
  • 毒性:GRAS(FEMA)。

系列性分类


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