849-99-0

• 常用中文名：己二酸二环己酯
• 常用英文名：Hexanedioic acid,1,6-dicyclohexyl ester
• CAS号：849-99-0
• 分子式：C₁₈H₃₀O₄
• 分子量：310.42800
• 发布时间：2018-08-23 09:58:31
• 更新时间：2024-01-08 10:02:35

名称

• 中文名: 己二酸二环己酯
• 英文名: dicyclohexyl hexanedioate
• 中文别名: 己二酸二環己酯
• 英文别名: Dicyclohexyl-adipat; DICYCLOHEXYL ADIPATE; EINECS 212-702-6; Adipic acid dicyclohexyl ester; Hexanedioic acid,dicyclohexyl ester; Ergoplast ADC; Dicyclohexyladipinsaeureester; Adipinsaeure-dicyclohexylester; Adipinsaeure-di-n-cyclohexylester

物化性质

• 密度: 1.05 g/cm3
• 沸点: 402.4ºC at 760mmHg
• 分子式: C₁₈H₃₀O₄
• 分子量: 310.42800
• 闪点: 192.7ºC
• 精确质量: 310.21400
• PSA: 52.60000
• LogP: 4.29860
• 折射率: 1.488
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.2

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:9

  5.互变异构体数量:无

  6.拓扑分子极性表面积:52.6

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:307

  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 : AV0980000 CHEMICAL NAME : Adipic acid, dicyclohexyl ester CAS REGISTRY NUMBER : 849-99-0 BEILSTEIN REFERENCE NO. : 1997888 LAST UPDATED : 199701 DATA ITEMS CITED : 7 MOLECULAR FORMULA : C18-H30-O4 MOLECULAR WEIGHT : 310.48 WISWESSER LINE NOTATION : L6TJ AOV4VO- AL6TJ 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 : 16 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : RPZHAW Roczniki Panstwowego Zakladu Higieny. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.1- 1950- Volume(issue)/page/year: 18,283,1967 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 5101 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 1020 mg/kg SEX/DURATION : female 5-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetal death REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 1700 mg/kg SEX/DURATION : female 5-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 170 mg/kg SEX/DURATION : female 5-15 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 510 mg/kg SEX/DURATION : female 5-15 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - other developmental abnormalities REFERENCE : JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 62,1596,1973

安全

• 海关编码: 2917120090

合成路线

110-82-7 ~% 124-04-9 849-99-0 108-94-1

文献：Tong, Xinli; Xu, Jie; Miao, Hong Advanced Synthesis and Catalysis, 2005 , vol. 347, # 15 p. 1953 - 1957

4645-15-2 ~% 849-99-0

文献：Pollart,K.A.; Miller,R.E. Journal of Organic Chemistry, 1962 , vol. 27, p. 2392 - 2394

3195-37-7 ~% 849-99-0

文献：Matsuda; Kikkawa Kogyo Kagaku Zasshi, 1956 , vol. 59, p. 895,897 Technology Reports of the Osaka University, 1957 , vol. 7, p. 199,203 Full Text Show Details Matsuda; Kikkawa Technology Reports of the Osaka University, 1957 , vol. 7, p. 199,201, 202 Kogyo Kagaku Zasshi, 1956 , vol. 59, p. 895,896 Chem.Abstr., 1958 , p. 10001

110-15-6 108-93-0 ~% 849-99-0

文献：Perkel'; Freidin; Neginskaya; Stolyankova; Ivanova Journal of applied chemistry of the USSR, 1985 , vol. 58, # 7 pt 2 p. 1444 - 1449

108-94-1 108-93-0 ~% 849-99-0

文献：Deutsche Hydrierwerke Patent: DE763204 , 1937 ; DRP/DRBP Org.Chem.

124-04-9 108-93-0 ~% 849-99-0

文献：Titow; Matweewa Sb. Statei Obshch. Khim., 1953 , p. 246,248 Chem.Abstr., 1955 , p. 886

124-04-9 108-93-0 ~% 849-99-0 54812-72-5

文献：Kotel'Nikova; Revkov; Voronina; Perkel Russian Journal of Applied Chemistry, 2009 , vol. 82, # 2 p. 287 - 294

5156-40-1 ~% 124-04-9 849-99-0 108-94-1 详细

文献：Titow; Matweewa Sb. Statei Obshch. Khim., 1953 , p. 246,248 Chem.Abstr., 1955 , p. 886

上下游产品

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海关

海关编码	2917120090
中文概述	2917120090. 己二酸及其盐和酯. 增值税率:17.0%. 退税率:13.0%. 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, 对苯二甲酸请注明4-CBA值, 对苯二甲酸请注明P-TL酸值, 对苯二甲酸请注明色度, 对苯二甲酸请注明水分
监管条件	A.入境货物通关单 B.出境货物通关单
检验检疫	R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary	2917120090. adipic acid and its salts. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%