Methyl octanoate 辛酸甲酯

CAS 111-11-5 MFCD00009551

化学结构图

111-11-5
SMILES: CCCCCCCC(=O)OC

化学属性

Mol. FormulaC9H18O2
Mol. Weight158.24
Density0.877
Boiling Point79 °C at 760 mmHg
Refractive index1.4150 to 1.4190
Flash Point76°C(lit.)
TSCAYes
Melting Point-40 °C
Solubility不溶于水,易溶于乙醇、乙醚。

别名和识别编码

Chemical NameMethyl Octanoate
CAS Number111-11-5
EC Number203-835-0
Beilstein Registry Number752270
MDL NumberMFCD00009551
Synonym Methyl octanoate {LY} Methyl octanoate {} {LY} Methyl octanoate {} {} {LY} Methyl octanoate {} {} {} {LY} Methyl octanoate {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID8091
Reaxys-RN1752270
Chemical Name Translation辛酸甲酯
LabNetwork Molecule IDLN00194786
Canonical SMILESCCCCCCCC(OC)=O
InChIInChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Biochemicals and Reagents, Building Blocks, C8 to C9, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Esters, Fatty Acyls, Fatty Esters, Humulus lupulus (Hops), Lipids, Methyl Esters, Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Zingiber officinale (Ginger)
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-N, Kosher Certified Products, M-N
  • {SNA} Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytica

相关文献及参考

  • 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: IV/10A Title: Heats of Mixing and Solution: Binary Liquid Systems of Nonelectrolytes Author: Grolier, J.-P.E.; Wormald, C.J.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H.V. Editor: Kehiaian; H.V. Source: Landolt-Börnstein, New Series Volume: IV/10A Year: 2004 Keyword: Nitrogen Containing; Organic Compounds; Pressure; Vapor; Vapor Pressure ISBN: 3-540-60347-6 ISBN: 978-3-540-60347-4 Internet Resource: DOI: 10.1007/b56530 RefComment: IX, 564 p. 816 illus., Hardcover RefComment: Written for scientists and engineers in the field of physical chemistry, organic chemistry, applied chemistry Abstract: This subvolume containes selected data on heats of mixing (excess enthalpies) of binary liquid mixtures of organic and inorganic nonelectrolytes, including aqueous-organic systems, in broad ranges of temperature, pressure, and composition. All the data are extracted from the original literature published from 1957 to 2003. The printed volume presents tables for 800 representative mixtures. The CD-ROM displays all these data, as well as 2853 additional data files, in PDF format and in a fully documented computer readable standard electronic file (SELF) format. Moreover, the ELBT-program allows

安全信息

Signal word Warning
GHS Symbol
WGK Germany1
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
  • R38 Irritating to skin 刺激皮肤
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P302+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P333+P313
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • P403 Store in a well-ventilated place. 储存在通风良好的地方。
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H227 Combustible liquid 可燃液体
  • H315 Causes skin irritation 会刺激皮肤
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRH0778000
Hazard Codes Xi
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            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 48 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RESJAS Journal of the Reticuloendothelial Society. (1964)  (Res: Journal of
   the Reticuloendothelial Society, New York)  V.1(1)-14(6), 1964-73.
   Volume(issue)/page/year: 3,250,1966

其他信息

  • Sigma Aldrich:111-11-5(sigmaaldrich)
  • MOL 文件:111-11-5.mol
  • 用途一:用于有机合成
  • 海关编码:29159080
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 辛酸甲酯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 方法一:由椰子油脂肪酸在盐酸气体存在下醇解而得。 由辛酸与甲醇酯化而得。
  • Acros Organics:辛酸甲酯 Methyl octanoate, 99%(111-11-5)
  • 用途二:GB 2760--1996规定为允许使用的食用香料。主要用以配制菠萝、浆果和水果型香精。
  • 辛酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 O0033 正辛酸甲酯 Methyl n-Octanoate 500ML 439元 2014/06/02 O0033 正辛酸甲酯 Methyl n-Octanoate 25ML 142元 2014/06/02 S0306 正辛酸甲酯[标准物质] Methyl n-Octanoate [Standard Material for GC] 5ML 1510元
  • MSDS 信息:辛酸甲酯(111-11-5).msds
  • FEMA:2728
  • 外观性质:无色液体。
  • Alfa Aesar:辛酸甲酯,99% Methyl octanoate, 99%(111-11-5)
  • 上游原料:辛酸 --> (C8-18、C18-不饱和)脂肪酸
  • 图谱信息:辛酸甲酯(111-11-5)红外图谱(IR1) 辛酸甲酯(111-11-5)质谱(MS) 辛酸甲酯(111-11-5)红外图谱(IR2) 辛酸甲酯(111-11-5)Raman光谱
  • TCI Shanghai:辛酸甲酯[标准物质] Methyl n-Octanoate [Standard Material],>;99.5%(GC)(111-11-5)
  • 下游产品:辛醇

系列性分类


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