Methyl 2-Furoate 2-呋喃羧酸甲酯

CAS 611-13-2 MFCD00003236

化学结构图

611-13-2
SMILES: COC(=O)c1ccco1

化学属性

Mol. FormulaC6H6O3
Mol. Weight126.11
Refractive index1.4860 to 1.4890
Boiling Point181.3°C at 760 mmHg
Density1.179
Flash Point73°C
TSCAYes
Appearance 无色液体。沸点181℃，相对密度1.179（22℃），折光率1.4682，闪点73℃。溶于醇和醚，微溶于水。在光线中变黄，有令人愉快的气味。
Solubilityslightly soluble
Stability对光敏感
Melting PointN/A

别名和识别编码

Chemical NameMethyl 2-Furoate
CAS Number611-13-2
Alfabeta NameMETHYLFURANCARBOXYLATE 2--
MDL NumberMFCD00003236
Synonym Methyl 2-furoate {LY} Methyl 2-furoate {} {LY} Methyl 2-furoate {} {} {LY} Methyl 2-furoate {} {} {} {LY} Methyl 2-furoate {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 2-furoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID11902
EC Number210-254-6
Beilstein Registry Number111110
Merck Number14,4307
Chemical Name Translation2-呋喃羧酸甲酯
Reaxys-RN111110
Wiswesser Line NotationT5OJ BVO1
LabNetwork Molecule IDLN00176163
InChIInChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
Canonical SMILESO=C(C1=CC=CO1)OC
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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, C4 to C7, Chemical Synthesis, Furans,
  • {SNA} Building Blocks, C4 to C7, Chemical Synthesis, Furans, Heterocyclic Building Blocks
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors a
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

产品应用

  • 用于有机合成，也用作溶剂。

相关文献及参考

  • Merck: 14,10260
  • Merck: 14,10260 Beilstein:18(3/4)3916

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Hazard Codes 6.1 Xn,Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H312 Harmful in contact with skin 皮肤接触有害
  • H301 Toxic if swallowed 吞食有毒
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H227 Combustible liquid 可燃液体
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSLV1950000
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。
  • 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。
  • 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。
  • P301+P310
  • P301+P310+P330
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger Warning
Safety Statements
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
Risk Statements
  • R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
  • 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
Packing GroupIII
UN Number 2810 UN2810
Hazard Class6.1
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >1250 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: 17,869,1979

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 58,174,1936

其他信息

  • 上游原料:糠酸
  • Hazard Note:Irritant
  • 海关编码:29321900
  • 检测方法:GC,NMR
  • 方法一:由糠酸与甲醇酯化而得。将糠酸溶解于甲醇中，加浓硫酸后加热煮沸4h，经冷却、水洗、中和，蒸馏而得成品。
  • 下游产品:5-硝基-2-糠酸甲酯
  • 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） 糠酸甲酯 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
  • 图谱信息:2-糠酸甲酯(611-13-2)质谱(MS) 2-糠酸甲酯(611-13-2)核磁图( 13 CNMR) 2-糠酸甲酯(611-13-2)核磁图( 1 HNMR) 2-糠酸甲酯(611-13-2)红外图谱(IR1)
  • 参考质量标准:FAO/WHO，2000 含量(GT-10-4) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.185～1.490 相对密度(d 25 25 ) 1.176～1.181
  • 使用限量:FEMA(mg/kg)：饮料0.61；冷饮0.06～1.3；糖果0.66；焙烤制品1.0～1.3；调味品0.02。
  • 毒性:GRAS(FEMA)。
  • FEMA:2703
  • 2-糠酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010257 2-糠酸甲酯 100g 398元 2011/04/16 F0075 2-呋喃羧酸甲酯 Methyl 2-Furancarboxylate 25ML 298元 2011/04/16 F0075 2-呋喃羧酸甲酯 Methyl 2-Furancarboxylate 250ML 1810元
  • 溶于醇和醚，微溶于水。在光线中变黄，有令人愉快的气味。
  • 用途二:用于有机合成，也用作溶剂。
  • MOL 文件:611-13-2.mol
  • Acros Organics:2-呋喃甲酸甲酯 Methyl 2-furoate, 98%(611-13-2)
  • 用途一:用于有机合成，也用作溶剂
  • Sigma Aldrich:611-13-2(sigmaaldrich)
  • Alfa Aesar:2-糠酸甲酯,98+% Methyl 2-furoate, 98+%(611-13-2)
  • MSDS 信息:Methyl 2-furoate(611-13-2).msds
  • TCI Shanghai:2-呋喃羧酸甲酯 Methyl 2-Furancarboxylate,>;99.0%(GC)(611-13-2)
  • 敏感性:Lachrymatory

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. Heterocyclic Building Blocks 杂环合成砌块
  4. Coumarins 香豆素
  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
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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