Ethyl Caprylate 辛酸乙酯

CAS 106-32-1 MFCD00009552

化学结构图

106-32-1
SMILES: CCCCCCCC(=O)OCC

化学属性

Mol. FormulaC10H20O2
Mol. Weight172.27
Density0.867
Refractive index1.4160 to 1.4190
Boiling Point207.5±3.0 °C at 760 mmHg
Vapor Pressure0.02 mmHg ( 25 °C)
Melting Point−48-−47°C
Flash Point75°C
TSCAYes
Solubility不溶于水、甘油，微溶于丙二醇，溶于乙醇、乙醚、氯仿。

别名和识别编码

Chemical NameEthyl Caprylate
CAS Number106-32-1
EC Number203-385-5
Beilstein Registry Number1754470
MDL NumberMFCD00009552
Synonym Ethyl octanoate {LY} Ethyl octanoate {} {LY} Ethyl octanoate {} {} {LY} Ethyl octanoate {} {} {} {LY} Ethyl octanoate {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl octanoate {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID7799
Merck Number3778
Reaxys-RN1754470
Chemical Name Translation辛酸乙酯
Wiswesser Line Notation7VO2
LabNetwork Molecule IDLN00196025
InChIInChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
Canonical SMILESCCCCCCCC(OCC)=O
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分类

  • {SNA} Alphabetica
  • {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} Biochemicals and Reagents, Building Blocks,
  • {SA} Alphabetical Listings, Certified Natural Products, E-F, E-H, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, F
  • {SNA} Biochemicals and Reagents, Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, Fatty Acyls, Fatty Esters, Lipids, Organic Building Blocks
  • {SN

产品应用

  • 有机合成。制备香料。

相关文献及参考

  • Short: III/47
  • Merck:14,3778
  • Merck:14,3778 Beilstein:2,348
  • Short: III/38B

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H227 Combustible liquid 可燃液体
RTECSRH0680000
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
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            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 25960 mg/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: 14,763,1976

其他信息

  • 蒸气压:0.02 mm Hg ( 25 °C)
  • 方法二:由辛酸与乙醇酯化而得。将辛酸、乙醇及少量浓硫酸加入反应锅中，加热回流数小时，然后用氢氧化钠溶液中和，再经蒸馏而得。
  • 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
  • 用途三:在日用化妆品香精中一般极少使用，只是在需用果香兼酒香的新香韵中，可适量用之。可大量用于食用香精，如杏子、苹果、柑桔、葡萄、坚果、生梨、凤梨、香蕉、草莓、白兰地、朗姆等。
  • 上游原料:乙醇 --> 辛酸
  • MSDS 信息:辛酸乙酯(106-32-1).msds
  • 用途六:有机合成。制备香料。
  • 图谱信息:辛酸乙酯(106-32-1)红外图谱(IR1) 辛酸乙酯(106-32-1)核磁图( 1 HNMR) 辛酸乙酯(106-32-1)Raman光谱 辛酸乙酯(106-32-1)红外图谱(IR2) 辛酸乙酯(106-32-1)核磁图( 13 CNMR) 辛酸乙酯(106-32-1)质谱(MS)
  • 用途四:GB 2760—96规定为允许使用的食用香料。主要用以配制牛奶、乳酪、苹果和菠萝果酒、白兰地、朗姆酒等型香精。
  • 毒性:LD 50 25960mg/kg(大鼠，经口)。
  • 用途五:本品具有白半地香型香气，用于配制食用香精。
  • Sigma Aldrich:106-32-1(sigmaaldrich)
  • 有菠萝香。能与乙醇和乙醚混溶，不溶于水和甘油。半数致死量（大鼠，经口）25960mg/kg。有刺激性。
  • 海关编码:29159080
  • 使用限量:FEMA(mg/kg)：软饮料4.1；冷饮2.4；糖果9.0；焙烤食品11；布丁类0.10～2.7；胶姆糖4.0～60。 适度为限(FDA§172．515，2000)。
  • TCI Shanghai:辛酸乙酯 Ethyl n-Octanoate,>;98.0%(GC)(106-32-1)
  • FEMA:2449
  • 用途二:用作食品加香剂
  • 用途一:用于香料制备
  • 无有菠萝香。能与乙醇和乙醚混溶，不溶于水和甘油。半数致死量（大鼠，经口）25960mg/kg。有刺激性。
  • Alfa Aesar:辛酸乙酯,99% Ethyl octanoate, 99%(106-32-1)
  • 参考质量标准:FCC，1997 含量 ≥98.0% 折射率(n D 20 ) 1.416～1.420 相对密度(d 25 25 ) 0.863～0.867 酸值(OT-4) ≤1.0
  • 外观性质:无色液体，具有白兰地酒香味。
  • 含量分析:准确称取试样约1.1g，按酯含量测定法(OT-18)中的方法二进行定量。其计算中的当量因子(e)取86.13。 宜按GT-10-4中用非极性柱方法测定。
  • Acros Organics:辛酸乙酯 Ethyl caprylate, 99+%(106-32-1)
  • MOL 文件:106-32-1.mol
  • 辛酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30087728 正辛酸乙酯 500ml 76.4元 2011/08/23 30087761 正辛酸乙酯 500ml 76.4元 2011/08/23 xp400159 辛酸乙酯;正辛酸乙酯 5ml 85元
  • 方法一:由乙醇与辛酸在硫酸催化下加热酯化后蒸馏而得。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C10 to C11 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Lipids
  4. Fatty Acids
  5. Saturated fatty acids and derivatives
  6. Dicarboxylic acids

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