(2E,4E)-Hexa-2,4-Dienedioic Acid (2E,4E)-己-2,4二烯二酸

CAS 3588-17-8 MFCD00002702

化学结构图

3588-17-8
SMILES: O=C(O)/C=C/C=C/C(=O)O

化学属性

Mol. FormulaC6H6O4
Mol. Weight142.11
Boiling Point320 °C at 760 mmHg
Melting Point290 °C
TSCANo
Solubility不溶
Appearance 白色棱柱形结晶。熔点301℃。1g能溶于约5L15℃水，溶于热乙醇、冰乙酸。

别名和识别编码

Chemical Name(2E,4E)-Hexa-2,4-Dienedioic Acid
CAS Number3588-17-8
Synonym trans-trans-Muconic acid {LY} trans-trans-Muconic acid {} {LY} trans-trans-Muconic acid {} {} {LY} trans-trans-Muconic acid {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} trans-trans-Muconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00002702
PubChem Substance ID87572522
EC Number222-724-8
Beilstein Registry Number2,803
Merck Number6299
Reaxys-RN8133661
Chemical Name Translation(2E,4E)-己-2,4二烯二酸
LabNetwork Molecule IDLN00774675
InChIInChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+
Canonical SMILESO=C(O)/C=C/C=C/C(O)=O
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分类

  • {SNA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • Aliphatics
  • {SA} Building Blocks, C6, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks
  • {uni_hamburg} no charge; carboxylic acid; 1fragment
  • Metabolites & Impurities

产品应用

  • A metabolite found in urine, which determines biological exposure index for workers exposed to Benzene.

相关文献及参考

  • Chapman, D., et al.: Drug Metab. Dispos., 18, 929 (1990),
  • 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/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.
  • [1]. Bartczak A, ET AL. Evaluation of assays for the identifica

安全信息

GHS Symbol
WGK Germany3
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
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSMM2235070
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。
  • 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。
  • P302+P352+P332+P313+P362+P364
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P305+P351+P338+P337+P313
  • P302+P350
  • P337+P313
Signal word 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
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
Hazard Codes Xi 
TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mg/L
REFERENCE :
   EVHPAZ EHP, Environmental Health Perspectives.  (U.S. Government Printing
   Office, Supt of Documents, Washington, DC 20402)  No.1-    1972-
   Volume(issue)/page/year: 81,77,1989

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

  • Alfa Aesar:反,反-已二烯二酸,98+% trans,trans-1,3-Butadiene-1,4-dicarboxylic acid, 98+%(3588-17-8)
  • MOL 文件:3588-17-8.mol
  • 用途一:用于有机合成。
  • 反式,反式-1,3-丁二烯-1,4-二羧酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0473 反,反-粘康酸 trans,trans-Muconic Acid 1G 409元 2010/06/21 128070010 反式,反式-1,3-丁二烯-1,4-二羧酸 trans,trans-Muconic acid 97% 1 GR 365元 2010/06/21 128070050 反式,反式-1,3-丁二烯-1,4-二羧酸 trans,trans-Muconic acid 97% 5 GR 1229元
  • 图谱信息:反式,反式-1,3-丁二烯-1,4-二羧酸(3588-17-8)红外图谱(IR2) 反式,反式-1,3-丁二烯-1,4-二羧酸(3588-17-8)红外图谱(IR1) 反式,反式-1,3-丁二烯-1,4-二羧酸(3588-17-8)Raman光谱 反式,反式-1,3-丁二烯-1,4-二羧酸(3588-17-8)核磁图( 13 CNMR) 反式,反式-1,3-丁二烯-1,4-二羧酸(3588-17-8)质谱(MS)
  • Acros Organics:反,反-粘康酸/己二烯二酸 trans,trans-Muconic acid, 97%(3588-17-8)
  • 上游原料:溴化钾 --> 二溴 --> 已二酸二乙酯
  • TCI Shanghai:反式,反式-粘糠酸 trans,trans-Muconic Acid,>;98.0%(T)(3588-17-8)
  • Sigma Aldrich:3588-17-8(sigmaaldrich)
  • 方法一:将3kg氢氧化钾溶于5L甲醇，搅拌，滴加1130g热至100℃的α,δ-二溴已二酸二乙酯。调节加料速度，使反应物较激烈地回流。加料后继续加热搅拌2h。在室温放置过夜，滤出2,4-已二烯二酸钾盐和溴化钾。将滤饼溶于8L热水，加30g活性炭煮沸，过滤。滤液冷却后加浓盐酸酸化。滤出产物，洗涤，干燥，得165-195g2，4-已二烯二酸。收率37%-43%。

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. 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. 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
  6. C13 to C42+
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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