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4-羟基环己基甲酸乙酯 | 17159-80-7

4-羟基环己基甲酸乙酯
Ethyl 4-hydroxycyclohexanecarboxylate
17159-80-7
C9H16O3
172.2215
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-羟基环己基甲酸乙酯结构式
24864106
名称和标识符
MDL MFCD00192156
InChIKey BZKQJSLASWRDNE-UHFFFAOYSA-N
Inchi 1S/C9H16O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7-8,10H,2-6H2,1H3
SMILES O([H])C1([H])C([H])([H])C([H])([H])C([H])(C(=O)OC([H])([H])C([H])([H])[H])C([H])([H])C1([H])[H]
别名信息
- 中文别名 -
  • 4-羟基环己基甲酸乙酯
  • 4-羟基环己烷甲酸乙酯
  • 3-甲砜基苯甲醇
  • 4-羟基环己基甲酸乙酯,顺式 +反式
  • 4-羟基环己烷甲酸甲酯
  • 4-羟基-环己烷甲酸乙酯
  • 塞来昔布
  • 4-羟基环己烷羧酸乙酯
  • 环己基甲酸乙酯
  • 对环己醇甲酸乙酯
  • 4-羟基环己甲酸乙酯
  • 4-(甲酸乙酯)环己醇
  • 4-羟基环己烷甲酸乙酯(顺反混合)
  • 4-羟基环己烷甲酸乙酯,顺式和反式混合物
- 英文别名 -
  • Ethyl 4-hydroxycyclohexanecarboxylate
  • Ethyl 4-hydroxycyclohexanecarboxylate,mixture of cis and trans
  • Ethyl 4-hydroxycyclohexylcarboxylate
  • Ai3-28355
  • Einecs 241-215-1
  • 4-Hydroxycyclohexanecarboxylate
  • Ethyl 4-hydroxycyclohexanecarbonate
  • ethyl 4-hydroxycyclohexane-1-carboxylate
  • 4-Hydroxycyclohexane-1-carboxylic acid ethyl ester
  • Ethyl4-hydroxycyclohexanecarboxylate,98%
  • Ethyl 4-hydroxycyclohexanecarboxylate≥ 99% (assay)
  • Ethyl trans-4-Hydroxycyclohexanecarboxylate
  • trans-ethyl 4-hydroxycyclohexanecarboxylate
  • cis-Ethyl 4-hydroxycyclohexanecarboxylate
  • 4-Hydroxy-cyclohexanecarboxylic acid ethyl ester
  • Ethyl 4-hydroxycyclohexane carboxylate
  • 4-Hydroxycyclohexanecarboxylic acid ethyl ester
  • Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester
  • trans-4-Hydroxycyclohexanecarboxylic Acid Ethyl Ester
  • Cycl
  • ETHYL 4-HYDROXYCYCLOHEXANECARBOXYLATE
  • ethyl 4-hydroxycyclohexanecarboxylate
  • DTXSID001189263
  • AI3-28355
  • FT-0687390
  • BZKQJSLASWRDNE-ZKCHVHJHSA-N
  • UNII-R7LV2TYU78
  • trans-4-hydroxycyclohexane carboxylic acid ethyl ester
  • ETHYL (1S,4S)-4-HYDROXYCYCLOHEXANE-1-CARBOXYLATE
  • Ethyl 4-Hydroxy Cyclo Hexane Carboxylate
  • BZKQJSLASWRDNE-UHFFFAOYSA-N
  • DS-11436
  • cis-4-Hydroxy-cyclohexanecarboxylic acid ethyl ester
  • 4-Carboethoxy Cyclohexanol
  • AM9678
  • EN300-7936192
  • SCHEMBL663948
  • F21258
  • MFCD00192156
  • trans-ethyl4-hydroxycyclohexanecarboxylate
  • CS-0020233
  • 4-ethoxycarbonylcyclohexanol
  • trans ethyl 4-hydroxycyclohexanecarboxylate
  • SCHEMBL15695701
  • A854626
  • Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, cis-
  • DTXSID90169135
  • 75877-66-6
  • ethyl-4-hydroxy-cyclohexane carboxylate
  • AM9681
  • Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester
  • MFCD16295187
  • ethyl 4-hydroxycyclohexane-carboxylate
  • SY025857
  • H11890
  • trans-Ethyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
  • AKOS015903755
  • CS-W008169
  • 17159-80-7
  • Ethyl cis-4-hydroxycyclohexanecarboxylate
  • R7LV2TYU78
  • SCHEMBL241638
  • BCP30884
  • Not available
  • trans-Ethyl 4-hydroxycyclohexanecarboxylate
  • Ethyl 4-hydroxycyclohexanecarboxylate, cis + trans
  • UNII-D266CGU6M5
  • 3618-04-0
  • ethyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
  • 4-hydroxy cyclo-hexane carboxylic acid ethyl ester
  • A881918
  • BZKQJSLASWRDNE-OCAPTIKFSA-N
  • SB38620
  • SY011568
  • Ethyl 4-hydroxycyclohexanecarboxylate pound>>Cyclohexanecarboxylicacid, 4-hydroxy-, ethyl ester
  • SCHEMBL19783847
  • FT-0699771
  • AKOS016009058
  • D266CGU6M5
  • FT-0700055
  • UNII-DYE45Z9SRP
  • ethyl 4-hydroxycyclohexanoate
  • AS-18158
  • AKOS015855262
  • AC-496
  • trans ethyl 4-hydroxycyclohexane carboxylate
  • J-010742
  • NS00025632
  • Cyclohexanecarboxylic acid, 4-hydroxy-, ethyl ester, trans-
  • EINECS 241-215-1
  • MFCD23701492
  • DYE45Z9SRP
  • AC-5139
  • Ethyl4-hydroxycyclohexanecarboxylate
  • 4-hydroxy-cyclohexane-1-carboxylic acid ethyl ester
  • J-521030
  • E0838
  • AS-75610
  • EN300-91667
  • cis-4-Hydroxycyclohexane-1-carboxylic acid ethyl ester
  • SY028026
  • SCHEMBL662522
  • EN300-7392169
  • Ethyl 4-hydroxycyclohexanecaboxylate
  • ethyl-4-hydroxycyclohexanecarboxylate
  • Ethyl 4-hydroxycyclohexanecarboxylate, mixture of cis and trans
物化性质
实验特性
LogP 1.10060
PSA 46.53000
折射率 n20/D 1.466(lit.)
水溶性 Not miscible or difficult to mix in water.
沸点 127-134 °C/0.1 mmHg(lit.)
闪点 华氏:235.4 °F
摄氏:113 °C
溶解度 略溶 (19 g/L) (25 ºC),
颜色与性状 不确定
溶解性 不确定
密度 1.068 g/mL at 25 °C(lit.)
计算特性
精确分子量 172.11000
氢键供体数量 1
氢键受体数量 3
可旋转化学键数量 3
同位素质量 172.11
重原子数量 12
复杂度 148
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 0
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) 1
互变异构体数量
表面电荷 0
拓扑分子极性表面积 46.5
国际标准相关数据
EINECS 241-215-1
海关数据
海关编码 2918199090
海关数据

中国海关编码:

2918199090

概述:

HS: 2918199090. 其他含醇基但不含其他含氧基羧酸(包括其酸酐、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:

2918199090 other carboxylic acids with alcohol 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
专业数据库参考
PubChemId 24864106
参考资料
Beilstein 241-215-1
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