Methyl 2-Methylbutyrate 2-甲基丁酸甲酯

CAS 868-57-5 MFCD00009335

化学结构图

868-57-5
SMILES: CCC(C)C(=O)OC

化学属性

Mol. FormulaC6H12O2
Mol. Weight116.16
Refractive index1.3920 to 1.3950
Boiling Point115 °C at 760 mmHg
Density0.88 g/mL at 25 °C(lit.)
Flash Point19.4±8.3 °C
TSCAYes
Appearance 天然品存在于苹果、欧洲越橘、甜瓜、菠萝蜜、草莓、豌豆、乳酪等中。 几乎无色的液体。具有似苹果和朗姆酒似香甜味。闪点32.8℃，沸点115℃。溶于乙醇和大多数非挥发性油，不溶于水。
Melting Point-91 °C

别名和识别编码

Chemical NameMethyl 2-Methylbutyrate
CAS Number868-57-5
PubChem Substance ID13357
EC Number212-778-0
Beilstein Registry Number1720409
MDL NumberMFCD00009335
Reaxys-RN1720409
Synonym Methyl 2-methylbutyrate {LY} Methyl 2-methylbutyrate {} {LY} Methyl 2-methylbutyrate {} {} {LY} Methyl 2-methylbutyrate {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-methylbutyrate {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation2-甲基丁酸甲酯
LabNetwork Molecule IDLN00226540
InChIInChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
Canonical SMILESCCC(C)C(OC)=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} Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products, Apple, Apricot, Cheese, Chromatography, Dairy Products, Dill, Durian, Ester, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fruits, Grape, Herbs & Spices, Lemon, M, M-R, META - METH, Majoram,

相关文献及参考

  • Beil. 2 ,IV,890
  • Arctander , 2108 / Corp MSDS 1 (2), 2381:C / FT-NMR 1 (1), 913:C / Fenaroli , 524 / RegBook 1 (1), 689:A / Structure Index 1 , 104:B:3 / Vapor Phase 3 , 617:C
  • 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/8H Title: Densities of Esters and Ethers Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8H Year: 2001 Keyword: organic compounds; density; liquids ISBN: 3-540-41035-X ISBN: 978-3-540-41035-5 Internet Resource: DOI:10.1007/b76770 RefComment: XI, 484 pages, with CD-ROM, Hardcover
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • 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
Signal word Warning
UN Number 3272
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
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • 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.....
Risk Statements
  • R10 Flammable 易燃
  • R11 Highly flammable 非常易燃
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
Packing GroupIII
Hazard Class3
Hazard Codes 3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • MSDS 信息:Methyl 2-methylbutyrate(868-57-5).msds
  • 方法一:由异丁烯、一氧化碳和盖烷醇(或由异丁烯、一氧化碳和酸催化剂)在压力下制得含有2-甲基丁酸甲酯的混合酯类，然后再分馏而得。
  • 用途二:可用于甜瓜、薄荷、草莓香精的调配。
  • 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） 2-甲基丁酸甲酯 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
  • 含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为0.9 g。计算中的当量因子(e)取58.08． 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 用途一:GB 2760—1996规定为允许使用的食用香料。主要用以配制苹果、热带水果、朗姆酒香精和提高水果型香精的香韵。
  • 2-甲基丁酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0758 DL-2-甲基丁酸甲酯 Methyl DL-2-Methylbutyrate 25ML 213元 2010/05/25 L08103 2-甲基丁酸甲酯, 98% Methyl 2-methylbutyrate, 98% 25g 323元 2010/05/25 L08103 2-甲基丁酸甲酯, 98% Methyl 2-methylbutyrate, 98% 100g 798元
  • 使用限量:FEMA(mg/kg)：软饮料5.0；冷饮10；糖果10；焙烤食品10。 适度为限(FDA§172．515，2000)。
  • FEMA:2719
  • Alfa Aesar:2-甲基丁酸甲酯,98% Methyl 2-methylbutyrate, 98%(868-57-5)
  • 香精香料应用:2-甲基丁酸甲酯又称为甲基乙基酯酸甲酯，英文名称为methyl 2-methyl butanoate 。天然存在于烤过的土豆、留兰香油、橄榄、灯笼果、苹果、欧洲越橘、甜瓜、菠萝蜜、草莓、豌豆、薄荷、乳酪中。香气特征：刺激性的水果的香气，醚香、带有蜜饯的冰淇淋、成熟的脂肪香、青香。味道描述：醚香、果香、新鲜生梨、热带水果香味、带有蜜饯的冰淇淋、浆果、成熟的菠萝蜜味，在低浓度时有甜的苹果样的味道。用于食用香精如苹果、带有蜜饯的冰淇淋、菠萝蜜、甜瓜、鸡蛋果、香蕉、热带水果型食品、托出新鲜醚香型的普通水果及日化香精的调配。
  • Sigma Aldrich:868-57-5(sigmaaldrich)
  • 上游原料:一氧化碳 --> 异丁烯 --> 混合酯
  • 参考质量标准:FCC，1996；FAO/WHO，1997 含量 ≥92.0% 折射率(n D 20 ) 1.393～1.397 相对密度(d 25 25 ) 0.879～0.883 酸值(OT-4) ≤2.0
  • TCI Shanghai:DL-2-甲基丁酸甲酯 Methyl DL-2-Methylbutyrate,>;98.0%(GC)(868-57-5)
  • MOL 文件:868-57-5.mol
  • 毒性:GRAS(FEMA)。

系列性分类

  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. I-N - Kosher Certified Products
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  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. C6 to C7 - Esters

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