65355-33-1 (4-戊基双环己烷甲酸,trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid)

CAS号:
65355-33-1
中文名称:
4-戊基双环己烷甲酸
英文名称:
trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid
安全信息:
分子式:
C18H32O2
分子量:
280.445486068726
相关分类:

4-戊基双环己烷甲酸(65355-33-1)名称与标识符

名称

中文别名:
4-戊基双环己烷甲酸;反式对戊基双环己基甲酸;(反,反)-4'-戊基-(1,1'-二环己基)-4-羧酸;反,反-4'-戊基双环己基-4-甲酸;反式戊基双环己基甲酸;戊基双环己基甲酸;反-4-(反-4-丁基环己基)环己基甲酸(4CCA);戊基环己基环己基甲酸;反,反-4'-戊基-1,1'-双环己基-4-甲酸;反-4-(反-4-戊基环己基)环己烷甲酸;
英文别名:
trans-4'-Pentyl-(1,1'-bicyclohexyl)-4-carboxylic acid;trans,trans-4'-Pentylbicyclohexyl-4-carboxylic Acid;(TRANS,TRANS)-4'-PENTYL-[1,1'-BICYCLOHEXYL]-4-CARBOXYLIC ACID;TRANS-4 -PENTYL-(1,1 -BICYCLOHEXYL)-4-CARBOXYLIC ACID;(Trans,Trans)-4-Pentyl-[1,1-Bicyclohexyl]-4-Carboxylic Acid;4'-PENTYL-BICYCLOHEXYL-4-CARBOXYLIC ACID;4-trans-n-amyl cyclohexyl cyclohexyl carboxylic acid;5HHA;trans,trans-4-n-Pentylcyclohexyl-cyclohexan-4'-carbonsaeure;trans-4-<trans-4-Pentylcyclohexyl>cyclohexyl-1-carboxylic acid;Trans-4-n-pentyl cyclohexyl-cyclohexane-4"-carboxylic acid;trans-4'-pentylbicyclohexane-4-carboxylic acid;trans-4'-pentylbicyclohexyl-trans-4-carboxylic acid;trans,trans-4'-Amyl-1,1'-bicyclohexane-4-carboxylic Acid;trans,trans-4'-Amylbicyclohexyl-4-carboxylic Acid;trans-4-(trans-4-Amylcyclohexyl)cyclohexanecarboxylic Acid;trans,trans-4'-Pentyl-1,1'-bicyclohexane-4-carboxylic Acid;trans-4-(trans-4-Pentylcyclohexyl)cyclohexanecarboxylic Acid;trans-4-Pentyl-(1,1-bicyclohexyl)-4-carboxylic acid;4'-pentyl-1,1'-bi(cyclohexyl)-4-carboxylic acid;4-(4-pentylcyclohexyl)cyclohexanecarboxylic acid;BAS 00294082;trans-4-(trans-4-Amylcyclohe;S;trans-4-(trans-4-pentylcyclohexyl)-cyclohexanecarboxylic acid;AKOS024389709;FT-0688770;4'-Pentyl[1,1'-bi(cyclohexane)]-4-carboxylic acid;DS-15538;[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl-, (trans,trans)-;SCHEMBL4159836;65355-33-1;MFCD05864408;DTXSID401186261;SCHEMBL12918855;SB66662;CS-0152363;P2437;(trans,trans)-4'-Pentyl[1,1'-bicyclohexyl]-4-carboxylic acid;SCHEMBL1961978;4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid;VRPANQODGRNWRV-UHFFFAOYSA-N;AMY25209;AS-17603;SCHEMBL4159828;VRPANQODGRNWRV-GARHLSDISA-N;(1r,4s)-4-cyclohexyl-1-pentylcyclohexanecarboxylic acid;5309-12-6;SCHEMBL9340270;AKOS015915087;A24064;NCGC00341499-01;AB01224612-03;DTXSID00967609;(1r,1's,4R,4'R)-4'-pentylbi(cyclohexane)-4-carboxylic acid;EU-0000067;SCHEMBL1961977;F16570;AKOS005384653;1'-pentyl-4,4'-biscyclohexane-1-carboxylic acid;4'-Pentylbi(cyclohexane)-4-carboxylic acid;(trans,trans)-4a(2)-Pentyl[1,1a(2)-bicyclohexyl]-4-carboxylic acid;AH-034/32470002;4'-Pentyl-1,1'-bicyclohexyl-4-carboxylicacid;DB-219023;STK046539;trans-4\\'-Pentyl-(1,1\\'-bicyclohexyl)-4-carboxylic acid;82372-79-0;4'-PENTYL-[1,1'-BI(CYCLOHEXANE)]-4-CARBOXYLIC ACID;

标识符

MDL:
MFCD05864408
InChIKey:
VRPANQODGRNWRV-UHFFFAOYSA-N
Inchi:
1S/C18H32O2/c1-2-3-4-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)18(19)20/h14-17H,2-13H2,1H3,(H,19,20)
SMILES:
OC(C1CCC(CC1)C1CCC(CCCCC)CC1)=O

4-戊基双环己烷甲酸(65355-33-1)物化性质

实验特性

  • LogP : 5.26410
  • PSA : 37.30000
  • 熔点 : 222-225°C

计算特性

  • 精确分子量 : 280.24000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 6
  • 同位素质量 : 280.240230259g/mol
  • 重原子数量 : 20
  • 复杂度 : 284
  • 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) : 6.7
  • 拓扑分子极性表面积 : 37.3

4-戊基双环己烷甲酸(65355-33-1)海关数据

海关编码:
2916209090
海关数据:

中国海关编码:

2916209090

概述:

2916209090 其他(环烷、环烯、环萜烯)一元羧酸(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:AB(入境货物通关单,出境货物通关单) 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, 丙烯酸、丙烯酸盐或酯应报明包装

监管条件:

A.入境货物通关单
B.出境货物通关单

检验检疫类别:

R.进口食品卫生监督检验
S.出口食品卫生监督检验
M.进口商品检验
N.出口商品检验

Summary:

2916209090 other cyclanic, cyclenic or cyclotherpenic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

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4-戊基双环己烷甲酸(65355-33-1)参考资料

Reaxys RN:
2695885
Beilstein:
T162031
PubChem CID: