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  2. 305-01-1
Esculetin | 305-01-1

Product Name:Esculetin

CAS No:305-01-1
MF:C9H6O4
MW:178.14154
MDL:MFCD00006874
CID:36772
PubChem ID:24854815
Introduction
七叶内酯,又称秦皮乙素,属香豆素类化合物,来源于芸香科植物柠檬的叶,木犀科植物苦杨白蜡树的树皮及颠茄、曼陀罗、地黄植物等中。具有抗菌、抗炎、镇静等作用。
Names and Identifiers
  • 6,7-Dihydroxy-2H-chromen-2-one
  • CICHORIGENIN
  • CICHERINGENIN
  • ESCULETOL
  • ESCULETIN
  • AKOS 215-98
  • 6,7-DIHYDROXY-CHROMEN-2-ONE
  • 2H-1-BENZOPYRAN-2-ONE,6,7-DIHYDROXY
  • 6,7-Dihydroxycoumarin
  • 6,7-Dihydroxycoumarin (Esculetin)
  • Aesculetin
  • ESCULETIN(P) PrintBack
  • ESCULETIN(RG) PrintBack
  • 6,7-dihydroxy-2H-1-benzopyran-2-one
  • Asculetine
  • Cryptotanshinone
  • Esculatin
  • MS]
  • [ "Aesculetin
  • Cichorigenin
  • Esculetin
  • esculin aglycon
  • MLS000069479
  • cichoriin aglycon
  • 6,7-dihydroxycoumarin
  • Cichoriin aglycone
  • Esculetol
  • aesculetin
  • cichoriin aglucon
  • esculetin
  • MLSMR
  • esculin aglucon
  • SMR000059055
  • Esculin aglycone
  • cichorigenin
  • Esculetin,98%
  • MDL:MFCD00006874
  • InChIKey:ILEDWLMCKZNDJK-UHFFFAOYSA-N
  • Inchi:1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
  • SMILES:O=C1C=CC2=C(O1)C=C(O)C(O)=C2
  • BRN:152788
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 178.14g/mol
  • Surface Charge: 0
  • XLogP3: 1.2
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Rotatable Bond Count: 0
  • Exact Mass: 178.026609g/mol
  • Monoisotopic Mass: 178.026609g/mol
  • Topological Polar Surface Area: 66.8Ų
  • Heavy Atom Count: 13
  • Complexity: 248
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • 互变异构体数量: 14
  • 表面电荷: 0

Experimental Properties

  • LogP: 1.20420
  • PSA: 70.67000
  • Merck: 3697
  • 折射率: 1.4500 (estimate)
  • 水溶性: 微溶
  • 沸点: 469.7°C at 760 mmHg
  • 闪点: 201.4 °C
  • 溶解度: Solubility Almost insoluble in boiling water, ether; soluble in hot ethanol, glacial acetic acid
  • 颜色与性状: Yellow powder
  • 溶解性: 溶于乙醇和稀碱溶液,微溶于水、乙醇和乙酸乙酯,不溶于乙醚和氯仿
  • 酸度系数(pKa): 1.71(at 25℃)
  • 最大波长(λmax): 344(MeOH)(lit.)
  • 酸碱指示剂变色ph值范围: Weak blue uorescence (1.5) to strong blue uorescence (2.0)
  • 密度: 1.3431 (rough estimate)
Security Information
  • Symbol: GHS07
  • RTECS号:GN6382500
  • WGK Germany:3
  • 安全术语:S26;S37/39
  • 安全说明:S26-S36-S37/39
  • 包装等级:I; II; III
  • 包装类别:I; II; III
  • 风险术语:R36/37/38
  • 危險品標誌: Xi Xi
  • 危险品运输编号:NONH for all modes of transport
  • 危害声明:H315,H319,H335
  • 警示性声明:P261,P305+P351+P338
  • 提示语:警告
  • 储存条件:Store at room temperature
  • 危险类别码:36/37/38
  • 信号词:Warning
Customs Data
  • 海关编码:2932209090
  • 海关数据:

    中国海关编码:

    2932209090

    概述:

    2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

    申报要素:

    品名, 成分含量, 用途

    Summary:

    2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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