1755-52-8

• 常用中文名：6-乙基-4-甲氧基-5-甲基-2,3,4,5-四氢-[1,1-联苯]-4-羧酸
• 常用英文名：3-Cyclohexene-1-carboxylicacid, 3-ethyl-4-(4-methoxyphenyl)-2-methyl-
• CAS号：1755-52-8
• 分子式：C₁₇H₂₂O₃
• 分子量：274.35500
• 发布时间：2018-12-03 11:44:40
• 更新时间：2024-01-02 14:52:51

名称

• 中文名: 6-乙基-4-甲氧基-5-甲基-2,3,4,5-四氢-[1,1-联苯]-4-羧酸
• 英文名: 3-ethyl-4-(4-methoxyphenyl)-2-methylcyclohex-3-ene-1-carboxylic acid
• 英文别名: 3-Cyclohexene-1-carboxylic acid,3-ethyl-4-(p-methoxyphenyl)-2-methyl; ORF 2166; 3-Aethyl-4-(4-methoxy-phenyl)-2-methyl-cyclohex-3-encarbonsaeure; 3-Ethyl-4-(p-methoxyphenyl)-2-methyl-3-cyclohexene-1-carboxylic acid; U 2911; 3-ethyl-4-(4-methoxy-phenyl)-2-methyl-cyclohex-3-enecarboxylic acid; CARBESTROL

物化性质

• 密度: 1.081g/cm3
• 沸点: 426.1ºC at 760mmHg
• 分子式: C₁₇H₂₂O₃
• 分子量: 274.35500
• 闪点: 152.3ºC
• 精确质量: 274.15700
• PSA: 46.53000
• LogP: 3.98950
• 蒸汽压: 5.09E-08mmHg at 25°C
• 折射率: 1.531
• 储存条件: 库房低温通风干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:无

  6.拓扑分子极性表面积:46.5

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:378

  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:2

  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 : GW4430000 CHEMICAL NAME : 3-Cyclohexene-1-carboxylic acid, 3-ethyl-4-(p-methoxyphenyl)-2-methyl- CAS REGISTRY NUMBER : 1755-52-8 BEILSTEIN REFERENCE NO. : 2653888 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C17-H22-O3 MOLECULAR WEIGHT : 274.39 WISWESSER LINE NOTATION : L6UTJ AR DO1& B2 C1 DVQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human DOSE/DURATION : 126 mg/kg/6W-I TOXIC EFFECTS : Behavioral - anorexia (human) Gastrointestinal - hypermotility, diarrhea Gastrointestinal - nausea or vomiting REFERENCE : CCROBU Cancer Chemotherapy Reports, Part 1. (Washington, DC) V.52(6)-59, 1968-75. For publisher information, see CTRRDO. Volume(issue)/page/year: 56,641,1972 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 16 mg/kg SEX/DURATION : male 8 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - male fertility index (e.g. # males impregnating females per # males exposed to fertile nonpregnant females) REFERENCE : JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 12,381,1966 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 30 ug/kg SEX/DURATION : female 1 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 167,105,1969

安全

• 海关编码: 2918990090

合成路线

57124-75-1 ~% 1755-52-8

文献：Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

103364-99-4 13139-86-1 ~% 1755-52-8 24771-50-4

文献：Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

24771-50-4 104-15-4 64-19-7 ~% 1755-52-8

文献：Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

107596-55-4 104-15-4 64-19-7 ~% 1755-52-8

文献：Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

7647-01-0 24771-50-4 71-43-2 ~% 1755-52-8

文献：Nathan; Hogg Journal of the American Chemical Society, 1956 , vol. 78, p. 6163,6165

上下游产品

上游产品  8
57124-75-1 13139-86-1 24771-50-4 104-15-4
64-19-7 107596-55-4 7647-01-0 71-43-2
下游产品  0

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（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: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
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%