5-Methylfurfural 5-甲基糠醛

CAS 620-02-0 MFCD00003232

化学结构图

620-02-0
SMILES: Cc1ccc(C=O)o1

化学属性

Mol. FormulaC6H6O2
Mol. Weight110.11
Refractive index1.5290 to 1.5330
Boiling Point187°C at 760 mmHg
Density1.107
Flash Point72°C
TSCAYes
Appearance 1.5307，相对密度 1.1070，溶于苯、甲苯、四氯化碳等溶剂，不溶于水。 D 本品为略带黄色透明液体，b.p.72～73℃/1.5kpa(或187℃)，n 20
Stability对水和潮气敏感
Melting Point171 °C

别名和识别编码

Chemical Name5-Methylfurfural
Synonym 5-Methylfurfural {LY} 5-Methylfurfural {} {LY} 5-Methylfurfural {} {} {LY} 5-Methylfurfural {} {} {} {LY} 5-Methylfurfural {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 5-Methylfurfural {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number620-02-0
PubChem Substance ID12097
EC Number210-622-6
Beilstein Registry Number17,289
MDL NumberMFCD00003232
Reaxys-RN106895
Chemical Name Translation5-甲基糠醛
Wiswesser Line NotationT5OJ BVH E1
LabNetwork Molecule IDLN00226408
InChIInChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
Canonical SMILESO=CC1=CC=C(C)O1
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分类

  • {SNA} Alcoholic & Nonalcoholic Beverages, Aldehyde, All Alphabetically Sorted, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Asparagus, Barley, Beans, Chromatography, Cocoa, Coffee, Cranberry, Flavors and Fragrances, Food & Beverage Standards, Food Products & Beverages, Fruits, Grains, Herbs & Spices, Lavender, M, M-R, META - METH, Macadamia nut, Mango, Mushroom,
  • {SNA} A-D,
  • {SNA} Aldehydes,
  • {SNA} Aldehydes,

相关文献及参考

  • Short: II/25D
  • Short: III/35E
  • Beilstein:17,289

安全信息

GHS Symbol
WGK Germany2
Hazard Codes Xi
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H227 Combustible liquid 可燃液体
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSLT7032500
Precautionary statements
  • 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
  • P308+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338+P337+P313
Signal word Danger
Storage condition -20°C {LY} -20°C 0-10 0-10°C Air Sensitive Refrigerator {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
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
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；
  • S37 Wear suitable gloves 戴适当手套；
  • 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；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2200 mg/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:
   20,751,1982

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Bacillus subtilis
DOSE/DURATION           : 55 ug/disc
REFERENCE :
   DFSCDX Developments in Food Science.  (Elsevier Science Pub. Co., Inc., 52
   Vanderbilt Ave., New York, NY 10017)  V.1-    1978- Volume(issue)/page/year:
   13,353,1986

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Rodent - hamster Ovary
DOSE/DURATION           : 37700 umol/L
REFERENCE :
   CALEDQ Cancer Letters (Shannon, Ireland).  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1975- Volume(issue)/page/year:
   13,89,1981

其他信息

  • 所属类别一:食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • Alfa Aesar:5-甲基糠醛,98% 5-Methyl-2-furaldehyde, 98%(620-02-0)
  • 用途三:5-甲基糠醛是拟除虫菊酯烯丙菊酯和丙炔菊酯的中间体。
  • 图谱信息:5-甲基呋喃醛(620-02-0)核磁图( 1 HNMR) 5-甲基呋喃醛(620-02-0)红外图谱(IR1) 5-甲基呋喃醛(620-02-0)核磁图( 13 CNMR) 5-甲基呋喃醛(620-02-0)质谱(MS) 5-甲基呋喃醛(620-02-0)红外图谱(IR2)
  • 参考质量标准:FAO/WHO，2000 含量(GT-10-4) ≥97% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.525～1.532 相对密度(d 25 25 ) 1.098～1.108
  • 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） 5-甲基糠醛 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
  • 用途一:用作烟用香精
  • TCI Shanghai:5-甲基糠醛 5-Methyl-2-furaldehyde,>;97.0%(GC)(620-02-0)
  • Sigma Aldrich:620-02-0(sigmaaldrich)
  • 所属类别二:农药中间体: 杀虫剂中间体: 拟除虫菊酯类杀虫剂
  • 毒性:GRAS(FEMA)。
  • MSDS 信息:5-Methyl furfural(620-02-0).msds
  • 海关编码:29329995
  • 使用限量:FEMA(mg/kg)：饮料、冷饮，0.13；糖果0.03～0.13；熔烤制品0.03。
  • 5-甲基呋喃醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw050013 5-甲基糠醛 50g 198元 2011/04/16 M0254 5-甲基-2-糠醛 5-Methyl-2-furaldehyde 500ML 3120元 2011/04/16 M0254 5-甲基-2-糠醛 5-Methyl-2-furaldehyde 25ML 338元
  • 方法二:由各种甲基戊糖与酸一起蒸馏而得。
  • color:very deep yellow to brown
  • FEMA:2702
  • Acros Organics:5-甲基糠醛 5-Methylfurfural, 98+%(620-02-0)
  • 敏感性:Air Sensitive
  • 上游原料:N,N-二甲基甲酰胺 --> 2-甲基呋喃 --> L-鼠李糖
  • 方法一:其制备方法是在三口瓶中加入2-甲基呋喃和N，N-二甲基甲酰胺，于低温下慢慢加入三氯氧磷，加料毕，于低温反应1～2h，然后将反应物倾倒入水中，用Na 2 CO 3 中和，分出油层，水层用溶剂萃取，有机相和油层合并干燥，蒸馏脱溶剂，然后减压蒸馏得产品。
  • 用途二:GB 2760--1996规定为允许使用的食品用香料。
  • 下游产品:N,N-二甲基甲酰胺
  • MOL 文件:620-02-0.mol

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. 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

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