trans-Aconitic Acid 反式乌头酸

CAS 4023-65-8 MFCD00002721

化学结构图

4023-65-8
SMILES: O=C(O)/C=C(\CC(=O)O)C(=O)O

化学属性

Mol. FormulaC6H6O6
Mol. Weight174.11
Melting Point190 °C
TSCAYes
Appearance 白色叶状或片状结晶。能溶于水和醇，微溶于醚。在冷水中水解生成顺乌头酸，加热后重排成反式。熔点190-210℃(反式，分解)
Boiling Point225.05 °C at 760 mmHg

别名和识别编码

Chemical Nametrans-Aconitic Acid
MDL NumberMFCD00002721
CAS Number4023-65-8
Synonym trans-Aconitic acid {LY} trans-Aconitic acid {} {LY} trans-Aconitic acid {} {} {LY} trans-Aconitic acid {} {} {} {LY} trans-Aconitic acid {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-Aconitic acid {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID444212
Beilstein Registry Number2(4)2405
EC Number223-688-6
Merck Number14,117
Reaxys-RN1725830
Chemical Name Translation反式乌头酸
LabNetwork Molecule IDLN00342292
InChIInChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)/b3-1+
Canonical SMILESO=C(O)/C=C(CC(O)=O)/C(O)=O
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分类

  • {SNA} Building Blocks, C6, Carbonyl Compounds,
  • {SNA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Hordeum vulgare (Barley), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学, 营养研究
  • {SNA} Bu
  • {SNA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids,
  • {SNA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Hordeum vulgare (Barley), Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学

相关文献及参考

  • [1]. Montoya G, et al. Quantitation of trans-aconitic acid in different stages of the sugar-manufacturing process. J Agric Food Chem. 2014 Aug 20;62(33):8314-8.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
RTECSUD2380000
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；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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
Signal word
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
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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard Codes Xi
GHS Symbol
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

  • MOL 文件:4023-65-8.mol
  • 反式-乌头酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 A12275001 反式-乌头酸 98％ 100g 1797元 2011/04/16 A0127 反-乌头酸 trans-Aconitic Acid 500G 3400元 2011/04/16 A0127 反-乌头酸 trans-Aconitic Acid 25G 340元
  • Sigma Aldrich:4023-65-8(sigmaaldrich)
  • Alfa Aesar:反-乌头酸,98% trans-Aconitic acid, 98%(4023-65-8)
  • Acros Organics:反式-乌头酸 trans-Aconitic acid, 98%(4023-65-8)
  • TCI Shanghai:反式-乌头酸 trans-Aconitic Acid,>;98.0%(GC)(T)(4023-65-8)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Organic Acids - Synthetic Reagents
  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. Carboxylic Acids - 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. Carboxylic Acids - Carbonyl Compounds
  6. C6 - Carboxylic Acids
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)