Furaneol 2,5-二甲基-4-羟基-3(2H)-呋喃酮

CAS 3658-77-3 MFCD00010706

化学结构图

3658-77-3
SMILES: CC1=C(O)C(=O)C(C)O1

化学属性

Mol. FormulaC6H8O3
Mol. Weight128.13
Melting Point73-77°C
Density1.057 at 25 °C
Refractive indexn20/D 1.444
Boiling Point215.5°C at 760 mmHg
Flash Point90.5°C
Appearance 白色至淡黄色固体。熔点78～80℃。呈甜、烤香、面包、烹调香及水果和焦糖香气。溶于乙醇。 天然品存在于新鲜菠萝和牛肉汤等中。

别名和识别编码

Chemical Name2,5-Dimethyl-4-hydroxy-3(2H)-furanone (Technical Grade)
Synonym Furaneol {LY} Furaneol alletone furaneol furaneol, (R)-isomer furaneol, (S)-isomer {} {LY} Furaneol {} {} {LY} Furaneol {} {} {} {LY} Furaneol {} {} {} {} {LY} Furaneol {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Furaneol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00010706
PubChem Substance ID19309
Beilstein Registry Number1281357
CAS Number3658-77-3
EC Number222-908-8
Reaxys-RN1281357
Chemical Name Translation2,5-二甲基-4-羟基-3(2H)-呋喃酮
LabNetwork Molecule IDLN00224150
InChIInChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
Canonical SMILESO=C1C(C)OC(C)=C1O
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分类

  • {SNA} Alphabetical Listings, Flavors and Fragrances, G-H
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E-H, Flavors and Fragrances, G-H, Halal Certified Products, Kosher Certified Products
  • {SNA} Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted, Almond, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products, Beef, Chromatography, Coffee, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fruits,
  • {SNA} Alphabetical Listi

相关文献及参考

  • Short: III/35C3
  • Short: III/35C2
  • Beilstein: 17,V,133

安全信息

WGK Germany3
GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H317 May cause an allergic skin reaction 可能导致皮肤过敏
  • H319 Causes serious eye irritation 严重刺激眼睛
Hazard Codes Xn
RTECSLU3990000
Personal Protective Equipment Eyeshields, Faceshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) dust mask type N95 (US), Eyeshields, Gloves Eyeshields, Faceshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Signal word Warning
Storage condition 2-8°C {LY} 2-8°C <0°C <;0 {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Precautionary statements
  • 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。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • 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。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P301+P312
  • P301+P317
  • P302+P352
  • P305+P351+P338
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P333+P313
  • P333+P317
  • P337+P313
  • P337+P317
  • P362+P364
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1608 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 22,85,1988

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 186 mg/kg
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 22,85,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 2 mg/plate
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 22,85,1988

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 260 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 359,17,1996

TYPE OF TEST            : Sperm Morphology
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 232 mg/kg
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 22,85,1988

TYPE OF TEST            : Sister chromatid exchange
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 186 mg/kg
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/

其他信息

  • FEMA:3174
  • 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） 4-羟基-2，5-二甲基-3（2H）呋喃酮 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
  • 用途二:GB 2760--1996规定为允许使用的食用香料。可用于烘烤食品、面包、麦芽、红糖、草莓、蜜饯、焦糖等香精。
  • 含量分析:用气液色谱法(GT-10-4)用极性柱在适当溶剂中测定。
  • MSDS 信息:2,5-Dimethyl-4-hydroxy-3[2H]-furanone(3658-77-3).msds
  • 方法一:由2-丁烯腈与乳酸乙酯在碱存在下缩合环化，再与KHSO4作用脱去HCN而成。 由丙二醇在锌催化剂存在下氧化、还原、二聚脱水环化而成。
  • TCI Shanghai:4-羟基-2,5-二甲基-3(2H)-呋喃酮(15%的丙二醇溶液,约1.2mol/L) 2,5-Dimethyl-4-hydroxy-3(2H)-furanone (15% in Propylene Glycol, ca. 1.2mol/L)(3658-77-3)
  • 上游原料:丙二醇 --> 乳酸乙酯 --> 2-丁烯腈
  • F:10-23
  • 参考质量标准:FCC，1997 含量 ≥98.0% 醇中溶解度 1g溶于1mL 95%乙醇
  • 4-羟基-2,5-二甲基-3(2H)呋喃酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1569 2,5-二甲基-4-羟基-3(2H)-呋喃酮 2,5-Dimethyl-4-hydroxy-3(2H)-furanone 5G 329元 2014/06/02 D1569 2,5-二甲基-4-羟基-3(2H)-呋喃酮 2,5-Dimethyl-4-hydroxy-3(2H)-furanone 25G 887元 2014/06/02 D1884 2,5-二甲基-4羟基-3(2H)-呋喃酮 (15%的丙二醇溶液,约1.2mol/L) 2,5-Dimethyl-4-hydroxy-3(2H)-furanone (15% in Propylene Glycol, ca. 1.2mol/L) 25ML 805元
  • Sigma Aldrich:3658-77-3(sigmaaldrich)
  • 使用限量:FEMA(mg/kg)：冰淇淋、明胶和布丁，5.0；糖果，焙烤制品；10.0；含醇饮料，60。
  • MOL 文件:3658-77-3.mol
  • 用途一:用于食品、饮料、日用化工
  • 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. Halal Certified Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. C-D - Alphabetical Listings
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. G-H - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Furans 呋喃
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Furans 呋喃
  5. C4 to C7 - Furans

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