Butyl levulinate 乙酰丙酸丁酯

CAS 2052-15-5 MFCD00009449

化学结构图

2052-15-5
SMILES: CCCCOC(=O)CCC(C)=O

化学属性

Mol. FormulaC9H16O3
Mol. Weight172.22
Density0.974 g/mL at 25 °C(lit.)
Refractive index1.4270 to 1.4290
Boiling Point240.3 °C at 760 mmHg
Flash Point120°C(lit.)
TSCAYes
Appearance 无色或稻草黄色液体。呈甜的略有刺鼻似焦糖香气及淡粟香；有略甜的焦糖和草药的苦味。沸点238℃。微溶于水，溶于油脂、乙醇、乙醚、氯仿及其他有机溶剂。

别名和识别编码

Chemical NameButyl levulinate
Synonym Butyl 4-oxopentanoate {LY} Butyl 4-oxopentanoate {} {LY} Butyl 4-oxopentanoate {} {} {LY} Butyl 4-oxopentanoate {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Butyl 4-oxopentanoate {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00009449
CAS Number2052-15-5
PubChem Substance ID16331
EC Number218-143-4
Reaxys-RN1768453
Beilstein Registry Number3(4)1563
Chemical Name Translation乙酰丙酸丁酯
LabNetwork Molecule IDLN00195146
Canonical SMILESCC(CCC(OCCCC)=O)=O
InChIInChI=1S/C9H16O3/c1-3-4-7-12-9(11)6-5-8(2)10/h3-7H2,1-2H3
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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} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances
  • {uni_hamburg} no charge; ester; ketone; 1fragment

相关文献及参考

  • 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
  • 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/20B Title: Vapor Pressure and Antoine Coefficients for Oxygen Containing Organic Compounds Author: Dykyj, J.; Svoboda, J.; Wilhoit, R.C.; Frenkel, M.; Hall, K.R. Editor: Hall, K.R. Source: Landolt-Börnstein, New Series Volume: IV/20B Year: 2000 Keyword: organic compounds; vapor pressure ISBN: 3-540-64968-9 ISBN: 978-3-540-64968-7 Internet Resource: DOI:10.1007/b71424 RefComment: VII, 320 pages.

安全信息

WGK Germany2
RTECSOI1695000
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)
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Signal word
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H316 Causes mild skin irritation 会轻微的刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • P337+P317
  • 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
  • P362+P364
Hazard Codes Xi 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   21,655,1983

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   21,655,1983

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • 参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥97% 折射率(n D 20 ) 1.423～1.433 相对密度(d 25 25 ) 0.967~0.977
  • 可燃性危险特性:热分解排出有毒辛辣刺激烟雾
  • 毒性分级:低毒
  • Hazard Note:Irritant
  • Acros Organics:乙酰丙酸丁酯 Butyl levulinate, 98%(2052-15-5)
  • 使用限量:FEMA(mg/kg)：饮料0.20～1.0；冷饮2.1；糖果、焙烤制品4.6。 FDA，§172．515(2000)：适量为限。
  • 类别:有毒物质
  • 毒性:GRAS(FEMA)
  • 急性毒性:口服-大鼠 LD50: >; 5000 毫克/公斤
  • FEMA:2207
  • Sigma Aldrich:2052-15-5(sigmaaldrich)
  • 用途一:食品用香料。
  • 储运特性:库房通风低温干燥
  • TCI Shanghai:乙酰丙酸丁酯 Butyl Levulinate,>;98.0%(GC)(2052-15-5)
  • 方法一:由乙酰丙酸与正丁醇在HCl存在下酯化而得。
  • MOL 文件:2052-15-5.mol
  • 刺激数据:皮肤-兔 500 毫克/24小时 轻度
  • 上游原料:正丁醇 --> 乙酰丙酸
  • 灭火剂:水, 二氧化碳, 干粉, 泡沫
  • 乙酰丙酸丁酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 L0138 乙酰丙酸丁酯 Butyl Levulinate 500ML 792元 2014/06/02 L0138 乙酰丙酸丁酯 Butyl Levulinate 25ML 130元 2010/06/21 176905000 乙酰丙酸丁酯 Butyl levulinate 98% 500 ML 335元
  • MSDS 信息:Butyl levulinate(2052-15-5).msds
  • 图谱信息:乙酰丙酸丁酯(2052-15-5)核磁图( 13 CNMR) 乙酰丙酸丁酯(2052-15-5)核磁图( 1 HNMR) 乙酰丙酸丁酯(2052-15-5)红外图谱(IR1) 乙酰丙酸丁酯(2052-15-5)质谱(MS)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. A-B - 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
  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. C8 to C9 - 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 - Carbonyl Compounds
  6. C8 to C9 - Esters

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