5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione 5,6-二甲基-3a,4,7,7a-四氢异苯并呋喃-1,3-二酮

CAS 5438-24-4 MFCD00177933

化学结构图

5438-24-4
SMILES: CC1=C(C)CC2C(=O)OC(=O)C2C1

化学属性

Mol. FormulaC10H12O3
Mol. Weight180.20
Melting Point78 °C
Boiling Point314.7±42.0 °C at 760 mmHg

别名和识别编码

Chemical Name5,6-Dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CAS Number5438-24-4
Alfabeta NameDIMETHYLTETRAHYDROBENZOFURANDIONE AA563477213-------,,,,,
MDL NumberMFCD00177933
Chemical Name Translation5,6-二甲基-3a,4,7,7a-四氢异苯并呋喃-1,3-二酮
LabNetwork Molecule IDLN00150694
PubChem Substance ID226297
InChIInChI=1S/C10H12O3/c1-5-3-7-8(4-6(5)2)10(12)13-9(7)11/h7-8H,3-4H2,1-2H3
Synonym 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} 5,6-Dimethyl-3a,4,7,7a-tetrahydroisoben
Canonical SMILESCC1=C(C)CC2C(C1)C(=O)OC2=O
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分类

  • {KO} Misc

安全信息

Warnings IRRITANT
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • 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。
  • 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。
  • 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。
  • P301+P312
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • 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）。
  • P330 Rinse mouth. 漱口
  • 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.....
Storage condition

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
0
H-bond Donors
0
LogP
1

系列性分类

  1. Functional Group 官能团索引
  2. carboxylic acid anhydride

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