Decanoic Acid Ethyl Ester 癸酸乙酯

CAS 110-38-3 MFCD00009581

化学结构图

110-38-3
SMILES: CCCCCCCCCC(=O)OCC

化学属性

Mol. FormulaC12H24O2
Mol. Weight200.32
Density0.867
Vapor Density6.9 (vs air)
Boiling Point242.5 °C at 760 mmHg
Refractive index1.4230 to 1.4270
Flash Point123°C(lit.)
TSCAYes
Melting Point-20 °C
Solubility不溶于水、甘油、丙二醇,溶于乙醇、乙醚、氯仿。

别名和识别编码

Chemical NameDecanoic Acid Ethyl Ester
CAS Number110-38-3
EC Number203-761-9
Beilstein Registry Number1762128
MDL NumberMFCD00009581
Synonym Ethyl decanoate {LY} Ethyl decanoate {} {LY} Ethyl decanoate {} {} {LY} Ethyl decanoate {} {} {} {LY} Ethyl decanoate {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl decanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {L
PubChem Substance ID87566776
Merck Number3776
Reaxys-RN1762128
Chemical Name Translation癸酸乙酯
Wiswesser Line Notation9VO2
InChIInChI=1S/C12H24O2/c1-3-5-6-7-8-9-10-11-12(13)14-4-2/h3-11H2,1-2H3
LabNetwork Molecule IDLN00193812
Canonical SMILESCCCCCCCCCC(OCC)=O
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分类

  • {SA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-F, E-H, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Biochemicals and Reagents, Building Blocks, C12 to C63, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, Fatty Acyls, Fatty Esters, Lipids, Organic Building Blocks
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香料
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-F, E-G, E-H, Flavors and Fragrances, Kos

产品应用

  • 癸酸乙酯具有椰子香型香气,主要用于配制食用香精。

相关文献及参考

  • Short: III/47
  • Merck:14,3776
  • Merck:14,3776 Beilstein:2(4)1044
  • Short: III/38B

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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
Precautionary statements
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛,皮肤或衣服。
RTECSHD9420000
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)
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

  • 癸酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0022 癸酸乙酯 Ethyl Decanoate 25ML 167元 2014/06/02 D0022 癸酸乙酯 Ethyl Decanoate 500ML 698元 2010/06/21 165001000 癸酸乙酯 Ethyl caprate 99+% 100 ML 279元
  • 用途一:GB 2760—96规定为允许使用的食品用香料。主要用于配制坚果、干酪、果酒、科涅克白兰地酒和朗姆酒等型香精。
  • 上游原料:乙醇 --> 正癸酸
  • MOL 文件:110-38-3.mol
  • 使用限量:FEMA(mg/kg):软饮料2.1;冷饮4.5;糖果8.3;焙烤食品23;布丁类5.3;酒类3.0~10。 适度为限(FDA§172.515,2000)。
  • Acros Organics:癸酸乙酯 Ethyl caprate, 99+%(110-38-3)
  • Alfa Aesar:癸酸乙酯,99% Ethyl decanoate, 99%(110-38-3)
  • 方法二:由癸酸和乙醇按常规法酯化制得。
  • 图谱信息:癸酸乙酯(110-38-3)核磁图( 13 CNMR) 癸酸乙酯(110-38-3)红外图谱(IR2) 癸酸乙酯(110-38-3)质谱(MS) 癸酸乙酯(110-38-3)核磁图( 1 HNMR) 癸酸乙酯(110-38-3)红外图谱(IR1) 癸酸乙酯(110-38-3)Raman光谱
  • MSDS 信息:癸酸乙酯(110-38-3).msds
  • FEMA:2432
  • 外观性质:无色油状液体。
  • 用途二:癸酸乙酯具有椰子香型香气,主要用于配制食用香精,与该品类似的脂肪族羧酸乙酯,例如辛酸乙酯、壬酸乙酯、月桂酸乙酯也用作香料。有时候商品月桂酸乙酯是指混合酯。辛酸(C8)、癸酸(C10)、月桂酸(C12)、肉豆蔻酸(C14)、棕榈酸(C16)以甘油酯的形式存在于椰子油中,其中月桂酸甘油酯的含量为45-51%。在硫酸存在下,使用乙醇和椰子油酸甘油酯进行酯交换反应,可得月桂酸乙酯,它用于配制香水香精、皂用香精、食用香精。
  • 毒性:GRAS(FEMA)。
  • TCI Shanghai:癸酸乙酯 Ethyl Decanoate,>;98.0%(GC)(110-38-3)
  • 海关编码:29159080
  • Sigma Aldrich:110-38-3(sigmaaldrich)
  • 参考质量标准:FCC,1997 含量 ≥98.0% 折射率(n D 20 ) 1.424~1.427 相对密度(d 25 25 ) 0.862~0.867 酸值(OT-4) ≤1.0 醇中溶解度(GT-43) 1ml溶于4mL,80%乙醇
  • 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) 癸酸乙酯 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
  • 溶于乙醇、氯仿、乙醚,不溶于水。
  • 蒸气密度:6.9 (vs air)
  • 方法一:由癸酸和无水乙醇在盐酸或硫酸存在下酯化后蒸馏而得。
  • 用途三:癸酸乙酯具有椰子香型香气,主要用于配制食用香精。
  • 含量分析:准确称取试样约1.3g,按酯测定法(OT-18)中方法一进行。计算中的当量因子(e)取100.2。 或按GT-10-4中用非极性柱方法测定。

系列性分类


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