Ethyl 3-hexenoate 3-己烯酸乙酯

CAS 2396-83-0 MFCD00036524

化学结构图

2396-83-0
SMILES: CCC=CCC(=O)OCC

化学属性

Mol. FormulaC8H14O2
Mol. Weight142.20
Density0.896
Refractive indexn20/D 1.426(lit.)
Flash Point59°(139°F)
TSCAYes
Boiling Point63-64 °C at 12 mmHg
Appearance 天然品存在于菠萝等中。 无色液体,呈清香的水果香气。沸点63~64℃(1600Pa)。微溶于水,溶于大多数有机溶剂。
Melting Point-65.52 °C

别名和识别编码

Chemical NameEthyl 3-hexenoate
MDL NumberMFCD00036524
CAS Number2396-83-0
Synonym Ethyl hex-3-enoate {LY} Ethyl hex-3-enoate {} {LY} Ethyl hex-3-enoate {} {} {LY} Ethyl hex-3-enoate {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl hex-3-enoate {} {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number219-257-7
PubChem Substance ID5362622
Chemical Name Translation3-己烯酸乙酯
InChIKeyVTSFIPHRNAESED-AATRIKPKSA-N
InChIInChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
Canonical SMILESCC/C=C/CC(OCC)=O
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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} Alphabetical Listings, Certified Food Grade Products, E-F, E-G, E-H,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F,
  • {SNA} Building Blocks, C8 to C9,
  • {SNA} Alphabetical Listings, E-F, E-H, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} B
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F, E-G, E-H, Flavors and Fragrances, Follows IFRA Guidelines, Food Safe Elite, Halal Certified Products,

相关文献及参考

  • Beilstein: 2,436

安全信息

Packing GroupIII
UN Number 3272
GHS Symbol
WGK Germany3
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Signal word Warning
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Hazard Class3
Hazard Codes 3 Xi
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
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 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....

其他信息

  • 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) 3-己烯酸乙酯 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 3-己烯酸乙酯 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
  • Sigma Aldrich:2396-83-0(sigmaaldrich)
  • MOL 文件:2396-83-0.mol
  • 方法一:由3-己烯酸和双环己基碳化二亚胺化合而成。 由3-己烯酸用啤酒酵母在20℃下发酵而得。
  • 果香味。
  • MSDS 信息:Ethyl 3-hexenoate(2396-83-0).msds
  • 3-己烯酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 A19734 3-己烯酸乙酯, 98% Ethyl 3-hexenoate, 98% 5g 323元 2010/05/25 A19734 3-己烯酸乙酯, 98% Ethyl 3-hexenoate, 98% 25g 1065元
  • FEMA:3342
  • Hazard Note:Irritant
  • 参考质量标准:FAO/WHO,1998 含量(GT-10-4) ≥95.0%2.折射率(n D 20 ) 1.424~1.428 相对密度(d 20 20 ) 0.897~0.901
  • 使用限量:FEMA(mg/kg):软饮料、冷饮、胶冻、布丁、果酱、蜜饯,2.0;糖果、焙烤食品,4.0。
  • 用途一:GB 2760--1996规定为允许使用的食品用香料。
  • 上游原料:啤酒 --> 二亚胺 --> 顺式-3-己烯酸
  • Alfa Aesar:3-己烯酸乙酯,98% Ethyl 3-hexenoate, 98%(2396-83-0)
  • 毒性:GRAS(FEMA)。

系列性分类


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