Methyl Hexanoate 己酸甲酯

CAS 106-70-7 MFCD00009510

化学结构图

106-70-7
SMILES: CCCCCC(=O)OC

化学属性

Mol. FormulaC7H14O2
Mol. Weight130
Refractive index1.4040 to 1.4070
Boiling Point151
Density0.885
Melting Point-71
Flash Point46°C(lit.)
TSCAYes
Solubility不溶于水,溶于乙醇、乙醚。

别名和识别编码

Chemical NameMethyl Hexanoate
Synonym C6:0 METHYL ESTER C7H14O2 (hexanoic acid methyl ester) CAPROIC ACID METHYL ESTER Caproic acid methyl ester Capronsäure-methylester FEMA 2708 HEXANOIC ACID METHYL ESTER Hexanoic acid methyl ester Hexansäure-methylester METHYL CAPROATE, STANDARD FOR GC METHYL N-CAPROATE Methyl caproate Methyl ester of hexanoic acid Methyl hexanoate Methyl hexylate Methyl n-hexanoate Methyl n-hexoate Methylcaproat Methylhexanoat methyl caproate methyl hexanoate 己酸甲基酯 己酸甲基酯 甲基己酸酯 己酸甲酯 正己酸甲酯
CAS Number106-70-7
PubChem Substance ID87575828
EC Number203-425-1
Beilstein Registry Number1744683
MDL NumberMFCD00009510
Reaxys-RN1744683
Chemical Name Translation己酸甲酯
LabNetwork Molecule IDLN00194808
InChIInChI=1S/C7H14O2/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
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分类

  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Biochemicals and Reagents, Chromatography, FAMEs, Fatty Acids, Fatty Acyls, Fatty Esters, Food & Beverage Standards, Lipid Analytical Standards, Lipids, Lipids - FA/FAME/Oils/Sterols, M, META - METH, Methyl Esters, Neats & Single Component Solutions, Other Lipid Related Products
  • {SNA} Alphabetical Listings, Certified Natural Products, Flavors and Fragrances, Halal Certified Products, I-N,
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds,

产品应用

  • 气相色谱分析标准。有机合成。去垢剂、乳化剂、湿润剂等的中间体。

相关文献及参考

  • Short: II/27B
  • Beilstein: 2,IV,921
  • Short: III/35C1

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMO8401400
Signal word Warning
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
UN Number 3272
Packing GroupIII
Hazard Codes 3
Hazard Class3
Storage condition -20°C 密封阴凉保存。
Warnings 危化品目录(2015)
TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 14 gm/m3/2H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single
   Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects,
   GKNT, 1982  Volume(issue)/page/year: -,82,1982

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 11500 mg/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   20,745,1982

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

{hazard

Restrict 危险品

其他信息

  • MSDS 信息:正己酸甲酯(106-70-7).msds
  • MOL 文件:106-70-7.mol
  • 毒性分级:低毒
  • 溶于乙醇和乙醚,不溶于水。易燃。
  • 上游原料:浓硫酸 --> 己酸 --> 椰子油 --> 油醇
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • FEMA:2708
  • 用途三:GB 2760--1996规定为允许使用的食用香料。主要用以配制菠萝和杏子等型香精。
  • 己酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 S0304 己酸甲酯[标准物质] Methyl Hexanoate [Standard Material for GC] 5ML 1260元 2014/06/02 H0111 己酸甲酯 Methyl Hexanoate 500ML 832元 2014/06/02 H0111 己酸甲酯 Methyl Hexanoate 25ML 180元
  • 图谱信息:己酸甲酯(106-70-7)核磁图( 1 HNMR) 己酸甲酯(106-70-7)Raman光谱 己酸甲酯(106-70-7)红外图谱(IR1) 己酸甲酯(106-70-7)质谱(MS) 己酸甲酯(106-70-7)核磁图( 13 CNMR) 己酸甲酯(106-70-7)红外图谱(IR2)
  • 使用限量:FEMA(mg/kg):软饮料4.1;冷饮8.5;糖果5.3;焙烤食品20。 适度为限(FDA§172.515,2000)。
  • 方法一:由甲醇和己酸在浓硫酸存在下于130~140℃中酯化而成。 由椰子油醇解而得。
  • TCI Shanghai:己酸甲酯[标准物质] Methyl Hexanoate [Standard Material],>;99.5%(GC)(106-70-7)
  • 类别:易燃液体
  • 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) 己酸甲酯 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
  • 毒性:GRAS(FEMA)。
  • 海关编码:29159080
  • 用途四:气相色谱分析标准。有机合成。去垢剂、乳化剂、湿润剂等的中间体。
  • 急性毒性:口服-大鼠 LD50: 5000 毫克/公斤; 吸入-小鼠 LD50: 14 克/立方米/2小时
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 用途一:用于有机合成、食品工业,也用作气相色谱参比物及溶剂
  • Acros Organics:己酸甲酯 Methyl hexanoate, 98%(106-70-7)
  • 用途二:用作香料和用于有机合成
  • 外观性质:无色液体。
  • 可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾
  • Alfa Aesar:己酸甲酯,99% Methyl hexanoate, 99%(106-70-7)
  • Sigma Aldrich:106-70-7(sigmaaldrich)

系列性分类


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