Allyl butyrate 丁酸烯丙酯

CAS 2051-78-7 MFCD00009395

化学结构图

2051-78-7
SMILES: C=CCOC(=O)CCC

化学属性

Mol. FormulaC7H12O2
Mol. Weight128.19
Refractive indexn20/D 1.414(lit.)
Boiling Point44-45 °C/15 mmHg(lit.)
Density0.902 g/mL at 25 °C(lit.)
Flash Point107 °F
Solubility不溶于水,溶于乙醇、乙醚。

别名和识别编码

Chemical NameAllyl butyrate >=98%, FG
CAS Number2051-78-7
PubChem Substance ID16324
EC Number218-129-8
MDL NumberMFCD00009395
Synonym {uni_hamburg} allylbutanoate FEMA 2021 allyl butyrate allylesterkyselinymaselne Butyric acid 2-propenyl ester ALLYL BUTYRATE ALLYL BUTYRATE 98+% Allylester kyseliny maselne butyric acid allyl ester Butyric acid allyl Allyl butanoate Butanoic acid, 2-propenyl ester VINYL CARBINYL BUTYRATE Vinyl carbinyl butyrate ALLYL N-BUTYRATE butanoic acid prop-2-enyl ester Butyric acid, allyl ester BUTYRIC ACID ALLYL ESTER butanoicacidprop-2-enylester Allylbutyrat 2-Propen-1-yl butanoate Allyl-n-butyrat Allyl butyrate 丁酸烯丙酯 Vinylcarbinylbutyrat butanoicacid,2-propenylester
Chemical Name Translation丁酸烯丙酯
Wiswesser Line Notation3VO2U1
Beilstein Registry Number1751642
InChIInChI=1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • Allyl Monomers, Materials Science, Monomers, Polymer Science
  • {SNA} A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products

相关文献及参考

  • Beil. 2 ,272
  • Aldrich MSDS 1 , 42:B / Arctander , 67 / Corp MSDS 1 (1), 97:B / FT-IR 2 (1), 1017:C / FT-IR 1 (1), 637:B / FT-NMR 1 (1), 970:B / Fenaroli , 41 / NMR-Reference 2 (1), 534:D / RegBook 67 (1), 717:N / RegBook 1 (1), 717:N / Sax 6 , 161 / Structure Index 1 , 109:D:4 / Vapor Phase 3 , 670: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/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • 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 Germany3
Hazard Codes Xn
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H311 Toxic in contact with skin 皮肤接触中毒
  • H301 Toxic if swallowed 吞食有毒
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H301+H311
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSES5775000
Precautionary statements
  • P301+P310
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适,呼叫解毒中心或医生/医师。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • 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。
  • P305+P351+P338
Signal word Danger
Safety Statements
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • 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;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
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
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • R10 Flammable 易燃
Packing GroupIII
Hazard Class3.2
UN Number UN 1992 3/PG 3
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 530 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: 15,613,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   6,378,1964

其他信息

  • 上游原料:丙烯醇 --> 丁酸
  • MSDS 信息:丁酸烯丙酯(2051-78-7).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) 丁酸烯丙酯 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
  • 毒性分级:高毒
  • 图谱信息:丁酸烯丙酯(2051-78-7)红外图谱(IR2) 丁酸烯丙酯(2051-78-7)红外图谱(IR1) 丁酸烯丙酯(2051-78-7)Raman光谱 丁酸烯丙酯(2051-78-7)核磁图( 1 HNMR) 丁酸烯丙酯(2051-78-7)质谱(MS) 丁酸烯丙酯(2051-78-7)核磁图( 13 CNMR)
  • 使用限量:FEMA(mg/kg):软饮料1.2;冷饮0.5~1.0;糖果1.3;焙烤食品0.50~3.0;布丁类1.0。 FDA,§172.515:适量为限。
  • 可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾
  • MOL 文件:2051-78-7.mol
  • 含量分析:按气相色谱法(GT-10-4)测定。
  • 参考质量标准:FAO/WHO,1997 含量 ≥98.0% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.412~1.418 相对密度(d 25 25 ) 0.897-0.902
  • 类别:易燃液体
  • 用途一:食用香料。主要用于配制桃子和杏子香精。
  • 急性毒性:口服- 大鼠 LD50: 250 毫克/ 公斤
  • Sigma Aldrich:2051-78-7(sigmaaldrich)
  • 外观性质:无色液体。
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • FEMA:2021
  • 方法一:由烯丙醇与丁酸在浓硫酸存在下,或与对甲苯磺酸在苯中酯化而成。
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放; 不宜久储, 以防聚合
  • 毒性:GRAS(FEMA)。

系列性分类


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