4500-29-2

• 常用中文名：2,2’-(环己基亚氨基)二乙醇
• 常用英文名：Cyclohexyldiethanolamine
• CAS号：4500-29-2
• 分子式：C₁₀H₂₁NO₂
• 分子量：187.27900
• 发布时间：2018-12-18 08:10:13
• 更新时间：2024-01-04 19:53:41

名称

• 中文名: 2,2’-(环己基亚氨基)二乙醇
• 英文名: 2-[cyclohexyl(2-hydroxyethyl)amino]ethanol
• 中文别名: 二羟乙基环己胺
• 英文别名: N,N-Dihydroxyethylcyclohexylamine; Cyclohexyldiethanolamine; Cyclohexylaminodiethanol; Diethanolcyclohexylamine; N-cyclohexyl-2,2'-iminodiethanol; Cyclohexylaminediethanol; Abbomeen E-2; Abbomeen E-2 aerosol; N-cyclohexyl-diethanolamine

物化性质

• 密度: 1.05g/cm3
• 沸点: 342.9ºC at 760mmHg
• 分子式: C₁₀H₂₁NO₂
• 分子量: 187.27900
• 闪点: 176.2ºC
• 精确质量: 187.15700
• PSA: 43.70000
• LogP: 0.60570
• 折射率: 1.511
• 计算化学:

  1.疏水参数计算参考值（XlogP）:0.7

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积:43.7

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:118

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : KK3538000 CHEMICAL NAME : Ethanol, 2,2'-cyclohexyliminodi- CAS REGISTRY NUMBER : 4500-29-2 BEILSTEIN REFERENCE NO. : 2637037 LAST UPDATED : 199712 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C10-H21-N-O2 MOLECULAR WEIGHT : 187.32 WISWESSER LINE NOTATION : L6TJ AN2Q2Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 2600 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,61,1969 TYPE OF TEST : LCLo - Lowest published lethal concentration ROUTE OF EXPOSURE : Inhalation SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 2 gm/m3/1H TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 34ZIAG "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969 Volume(issue)/page/year: -,61,1969

安全

• 危险品运输编码: UN 2735
• 包装等级: III
• 海关编码: 2922199090

合成路线

75-21-8 108-91-8 ~% 2842-38-8 4500-29-2

文献：Bain; Pollard Journal of the American Chemical Society, 1939 , vol. 61, p. 2704

120-07-0 ~% 4500-29-2

文献：Metayer Bulletin de la Societe Chimique de France, 1948 , p. 1093,1095 Annales de Chimie (Cachan, France), 1949 , vol. <12>4, p. 196,234

75-21-8 108-91-8 ~% 4500-29-2

文献：Szarvasi,E. et al. European Journal of Medicinal Chemistry, 1976 , vol. 11, p. 115 - 124

108-91-8 107-07-3 ~% 4500-29-2

文献：Winthrop Chem. Co. Patent: US2167351 , 1938 ; Full Text Show Details I.G. Farbenind. Patent: DE679281 , 1937 ; DRP/DRBP Org.Chem.

上下游产品

上游产品  4
75-21-8 108-91-8 120-07-0 107-07-3
下游产品  4
6425-41-8 106-69-4 4261-59-0 108-93-0

海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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:30.0%
申报要素	品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%