35449-36-6

• 常用中文名：1,10-Decanediol,2,2,9,9-tetramethyl-
• 常用英文名：1,10-Decanediol,2,2,9,9-tetramethyl-
• CAS号：35449-36-6
• 分子式：C₁₄H₃₀O₂
• 分子量：230.39
• 相关类别： 研究领域 代谢疾病
• 发布时间：2016-01-18 00:14:28
• 更新时间：2024-01-02 18:16:58
• 吉利二醇是一种强效的抗脂剂。吉利二醇具有研究高脂蛋白血症的潜力[1][2]。

名称

• 英文名: 2,2,9,9-tetramethyldecane-1,10-diol
• 英文别名: Gemcadiol; 2,2,9,9-tetramethyl-decane-1,10-diol; 2,2,9,9-Tetramethyl-1,10-decanediol; CI-720; 2,2,9,9-Tetramethyl-1,10-decandiol; 2,2,9,9-Tetramethyl-decan-1,10-diol

物化性质

• 密度: 0.904g/cm3
• 沸点: 319.3ºC at 760mmHg
• 分子式: C₁₄H₃₀O₂
• 分子量: 230.39
• 闪点: 136.7ºC
• 精确质量: 230.22500
• PSA: 40.46000
• LogP: 3.36400
• 折射率: 1.461
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.1

  2.氢键供体数量:2

  3.氢键受体数量:2

  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:40.5

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:154

  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

生物活性

• 描述: 吉利二醇是一种强效的抗脂剂。吉利二醇具有研究高脂蛋白血症的潜力[1][2]。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 代谢疾病
• 体内研究: 二甲二醇(25-300 mg/kg；13周) 降低猴子的血清胆固醇并略微增加血清肌酸磷酸激酶[2]
• 参考文献:

  [1]. Blumethal HP, et al. Gemcadiol: a new antilipemic drug, a clinical trial. Lipids. 1977 Jan;12(1):44-8.

  [2]. Fitzgerald JE, et al. Preclinical toxicology studies with the lipid-regulating agent gemcadiol. Fundam Appl Toxicol. 1986 Apr;6(3):520-31.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : HD8452000 CHEMICAL NAME : 1,10-Decanediol, 2,2,9,9-tetramethyl- CAS REGISTRY NUMBER : 35449-36-6 BEILSTEIN REFERENCE NO. : 1748265 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C14-H30-O2 MOLECULAR WEIGHT : 230.44 WISWESSER LINE NOTATION : Q1X1&1&6X1&1&1Q HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1023 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,520,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : >1 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0064286 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1023 mg/kg TOXIC EFFECTS : Behavioral - altered sleep time (including change in righting reflex) Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,520,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 10920 mg/kg/52W-C TOXIC EFFECTS : Blood - pigmented or nucleated red blood cells Blood - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,520,1986 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 109 gm/kg/52W-I TOXIC EFFECTS : Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,520,1986 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 2 gm/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system REFERENCE : FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 6,520,1986

安全

• 海关编码: 2905399090

合成路线

22092-62-2 ~% 35449-36-6

文献：Adams; Anderson Journal of the American Chemical Society, 1951 , vol. 73, p. 136,141

22092-67-7 ~% 35449-36-6

文献：Adams; Anderson Journal of the American Chemical Society, 1951 , vol. 73, p. 136,141

158300-02-8 ~% 35449-36-6

文献：Adams; Anderson Journal of the American Chemical Society, 1951 , vol. 73, p. 136,141

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海关

海关编码	2905399090
中文概述	2905399090 其他二元醇。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途, 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	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	2905399090 other diols。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:5.5%。general tariff:30.0%