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乙酰琥珀酸二乙酯 | 1115-30-6

乙酰琥珀酸二乙酯
Diethyl acetylsuccinate
1115-30-6
C10H16O5
216.2310
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:乙酰琥珀酸二乙酯结构式
24894104
名称和标识符
MDL MFCD00009157
InChIKey DVSDDICSXBCMQJ-UHFFFAOYSA-N
Inchi 1S/C10H16O5/c1-4-14-9(12)6-8(7(3)11)10(13)15-5-2/h8H,4-6H2,1-3H3
SMILES O(C([H])([H])C([H])([H])[H])C(C([H])(C(C([H])([H])[H])=O)C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])=O
别名信息
- 中文别名 -
  • 乙酰琥珀酸二乙酯
  • 乙酰丁二酸二乙酯
  • 乙酰基琥珀酸二乙酯
- 英文别名 -
  • Diethyl 2-acetylsuccinate
  • Diethyl acetylsuccinate
  • diethyl 2-acetylbutanedioate
  • acetyl-butanedioic aci diethyl ester
  • acetylsuccinic acid diethyl ester
  • Butanedioic acid,acetyl-,diethyl ester
  • Ethyl acetylsuccinate
  • NSC 233
  • Diethyl acetosuccinate
  • Butanedioic acid, acetyl-, diethyl ester
  • DIETHYLACETYLSUCCINATE
  • Butanedioic acid, 2-acetyl-, 1,4-diethyl ester
  • Succinic acid, acetyl-, diethyl ester
  • 1,4-diethyl 2-acetylbutanedioate
  • DVSDDICSXBCMQJ-UHFFFAOYSA-N
  • C10H16O5
  • AK115619
  • Diethyl acetylsuccinate, 99%
  • Diethyl acetylsuccinates
  • DEA
  • Acetylsuccinic acid diethyl ester
  • Acetylsuccinic acid diethyl ester
  • Acetylsuccinic acid diethyl ester
  • NSC233
  • NSC233
  • NSC233
  • A2212
  • A2212
  • A2212
  • 2-acetyl-succinic acid diethyl ester
  • 2-acetyl-succinic acid diethyl ester
  • 2-acetyl-succinic acid diethyl ester
  • AKOS000120634
  • AKOS000120634
  • AKOS000120634
  • CBDivE_005241
  • CBDivE_005241
  • CBDivE_005241
  • SCHEMBL460011
  • SCHEMBL460011
  • SCHEMBL460011
  • CS-0067336
  • CS-0067336
  • CS-0067336
  • (2s,1s,2s)-2-(carboxycyclopropyl)glycine
  • (2s,1s,2s)-2-(carboxycyclopropyl)glycine
  • (2s,1s,2s)-2-(carboxycyclopropyl)glycine
  • AC2238
  • AC2238
  • AC2238
  • FT-0621811
  • FT-0621811
  • FT-0621811
  • Q-102038
  • Q-102038
  • Q-102038
  • SY033184
  • SY033184
  • SY033184
  • AS-10128
  • AS-10128
  • AS-10128
  • Diethyl-2-acetylsuccinate
  • Diethyl-2-acetylsuccinate
  • Diethyl-2-acetylsuccinate
  • AC-12479
  • AC-12479
  • AC-12479
  • F0001-0251
  • F0001-0251
  • F0001-0251
  • MFCD00009157
  • MFCD00009157
  • MFCD00009157
  • Diethyl acetylsuccinate, 97+%
  • Diethyl acetylsuccinate, 97+%
  • Diethyl acetylsuccinate, 97+%
  • NS00015785
  • NS00015785
  • NS00015785
  • (2S)-2-acetyl-2,3-diethylsuccinate
  • (2S)-2-acetyl-2,3-diethylsuccinate
  • (2S)-2-acetyl-2,3-diethylsuccinate
  • EINECS 214-223-8
  • EINECS 214-223-8
  • EINECS 214-223-8
  • AI3-05620
  • AI3-05620
  • DTXSID60870842
  • AI3-05620
  • DTXSID60870842
  • Diethyl acetylsuccinate, 95%
  • Diethyl acetylsuccinate, 95%
  • DTXSID60870842
  • NSC-233
  • NSC-233
  • Diethyl acetylsuccinate, 95%
  • 1115-30-6
  • NSC-233
  • 1115-30-6
  • 1115-30-6
物化性质
实验特性
LogP 0.70790
PSA 69.67000
折射率 n20/D 1.435(lit.)
沸点 180-183 °C/50 mmHg(lit.)
熔点 -8℃
蒸气压 0.0±0.5 mmHg at 25°C
闪点 华氏:>235.4 °F
摄氏:>113 °C
溶解度 微溶 (8.9 g/L) (25 ºC),
颜色与性状 液体。
溶解性 未确定
密度 1.081 g/mL at 25 °C(lit.)
计算特性
精确分子量 216.10000
氢键供体数量 0
氢键受体数量 5
可旋转化学键数量 8
同位素质量 216.1
重原子数量 15
复杂度 246
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 1
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.6
互变异构体数量 5
表面电荷 0
拓扑分子极性表面积 69.7
国际标准相关数据
EINECS 233
海关数据
海关编码 2918300090
海关数据

中国海关编码:

2918300090

概述:

2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

相关文献
  • 1. A focused structure–activity relationship study of psoralen-based immunoproteasome inhibitors
    Eva Shannon Schiffrer,Izidor Sosi?,Andrej ?terman,Janez Mravljak,Irena Mlinari? Ra??an,Stanislav Gobec,Martina Gobec Med. Chem. Commun. 2019 10 1958
  • 2. CLIV.—The labile nature of the halogen atom in organic compounds. Part XI. The halogenation of ethyl acetylsuccinate
    Alexander Killen Macbeth,David Traill J. Chem. Soc. Trans. 1925 127 1118
  • 3. β-Thioxo-esters. Part III. The spontaneous intramolecular cyclization of tautomeric diethyl thioacetylsuccinate. Preparation and tautomerism of 4-ethoxycarbonyl-5-methylthiophen-2(3H)-one
    Fritz Duus J. Chem. Soc. Perkin Trans. 1 1978 292
  • 4. Organic synthesis in the study of terpene-derived oxidation products in the atmosphere
    Mary Alice Upshur,Ariana Gray Bé,Jingyi Luo,Jonathan G. Varelas,Franz M. Geiger,Regan J. Thomson Nat. Prod. Rep. 2023 40 890
  • 5. 587. Synthetical experiments in the B group of vitamins. Part II. Pyrrolinones derived from the condensation products of primary amino-esters and formyl- or acetyl-succinic acid derivatives
    A. Cohen J. Chem. Soc. 1950 3005
  • 6. Organic chemistry
    J. Chem. Soc. Abstr. 1925 128 i769
  • 7. S 2. Fluorescent acylating agents derived from 7-hydroxycoumarin
    Wilson Baker,C. B. Collis J. Chem. Soc. 1949 S12
  • 8. Organic chemistry
    J. Chem. Soc. Abstr. 1906 90 A921
  • 9. Analogues of the antiviral acyclonucleoside 9-(4-hydroxy-3-hydroxymethylbutyl)guanine. Part 3. Modification of a 3′-hydroxymethyl group
    Michael R. Harnden,Richard L. Jarvest J. Chem. Soc. Perkin Trans. 1 1988 2777
  • 10. Proceedings of the Chemical Society, Vol. 22, No. 317
    Proc. Chem. Soc. London 1906 22 301
专业数据库参考
PubChemId 24894104
化合物详情(旧版)

SMILES

CCOC(=O)CC(C(C)=O)C(=O)OCC

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