Ethyl Nonanoate 壬酸乙酯

CAS 123-29-5 MFCD00009570

化学结构图

123-29-5
SMILES: CCCCCCCCC(=O)OCC

化学属性

Mol. FormulaC11H22O2
Mol. Weight186.29
Refractive index1.4190 to 1.4230
Boiling Point119 °C at 23 mmHg
Vapor Pressure0.08 mmHg ( 25 °C)
Density0.866
Flash Point104°C(lit.)
TSCAYes
Melting Point-44 °C
Solubility不溶于水,可混溶于醇、乙二醇。

别名和识别编码

Chemical NameEthyl Nonanoate
Synonym Ethyl nonanoate {LY} Ethyl nonanoate {} {LY} Ethyl nonanoate {} {} {LY} Ethyl nonanoate {} {} {} {LY} Ethyl nonanoate {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl nonanoate
MDL NumberMFCD00009570
CAS Number123-29-5
PubChem Substance ID31251
EC Number204-615-7
Beilstein Registry Number1759169
Merck Number3838
Reaxys-RN1759169
Chemical Name Translation壬酸乙酯
Wiswesser Line Notation8VO2
LabNetwork Molecule IDLN00201940
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
Canonical SMILESCCCCCCCCC(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料
  • {S
  • {SNA} Biochemicals and Reagents, Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Syn
  • {SNA} Alphabetical Listings, Certified Food Grade Products, E - H, E-F, E-G, E-H, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products, Kosher Certified Products
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Ethyl Ester, Fatty Acyls, Fatty Esters, Organic Building Blocks, 生化试剂, 脂类

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Che
  • 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/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSRA6845000
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P305+P351+P338+P337+P313
Signal word
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
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 24 gm/kg
TOXIC EFFECTS :
   Gastrointestinal - ulceration or bleeding from duodenum
   Gastrointestinal - gastritis
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >43 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - other changes
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

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

  • 参考质量标准:FCC,1996;及FAO/WHO,1997 含量 ≥98.0% 折射率(n D 20 ) 1.420~1.424 相对密度(d 25 25 ) 0.863~0.867 酸值(OT-4) ≤3.0
  • TCI Shanghai:壬酸乙酯 Ethyl Nonanoate,>;95.0%(GC)(123-29-5)
  • 含量分析:按酯测定法(OT-18)中的方法二测定。所取试样量为1.5g。计算中的当量因子(e)取93.15。 宜按GT-10—4中用非极性柱方法测定。
  • 使用限量:FEMA(mg/kg):软饮料3.0;冷饮4.0;糖果14;焙烤食品15;布丁类15;胶姆糖580;酒类20;糖衣39。 适度为限(FDA§172.515,2000)。
  • 毒性:Adl 0~2.5mg/kg(FAO/WHO,1992)。 LD50 24g/kg(鸽子,经口)。
  • 方法一:由壬酸和乙醇以少量盐酸为催化剂在甲苯中酯化后蒸馏而得。
  • 图谱信息:壬酸乙酯(123-29-5)红外图谱(IR1) 壬酸乙酯(123-29-5)红外图谱(IR2) 壬酸乙酯(123-29-5)核磁图( 13 CNMR) 壬酸乙酯(123-29-5)质谱(MS)
  • FEMA:2447
  • 蒸气压:0.08 mm Hg ( 25 °C)
  • MSDS 信息:壬酸乙酯(123-29-5).msds
  • 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) 壬酸乙酯 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
  • Alfa Aesar:壬酸乙酯,97% Ethyl nonanoate, 97%(123-29-5)
  • 上游原料:壬酸
  • MOL 文件:123-29-5.mol
  • 壬酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 N0289 壬酸乙酯 Ethyl Nonanoate 500ML 1020元 2014/06/02 N0289 壬酸乙酯 Ethyl Nonanoate 25ML 189元 2010/05/25 B24190 壬酸乙酯, 97% Ethyl nonanoate, 97% 500ml 641元
  • 海关编码:29159080
  • Sigma Aldrich:123-29-5(sigmaaldrich)
  • 用途一:GB 2760一96规定为允许使用的食用香料。主要用以配制需甜而酸的水果型香精、白兰地酒、朗姆酒和椰子等型香精。
  • 下游产品:1-壬醇
  • 外观性质:无色液体。
  • 方法二:由壬酸与乙醇在硫酸存在下酯化而得。
  • 用途二:壬酸乙酯具有葡萄香,常用于配制食用香精以及葡萄酒、威士忌洒的香料,也可用作花香香精的变调剂。

系列性分类


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