4-羟基环己基甲酸乙酯 | 17159-80-7
中文名称:
4-羟基环己基甲酸乙酯
英文名称:
Ethyl 4-hydroxycyclohexanecarboxylate
CAS No.:
17159-80-7
分子式:
C9 H1 6 O3
分子量:
172.2215
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
无
表面电荷
0
拓扑分子极性表面积
46.5
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%
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