4376-20-9

• 常用中文名：邻苯二甲酸单(2-乙基己基)酯
• 常用英文名：UNII:FU2EWB60RT
• CAS号：4376-20-9
• 分子式：C₁₆H₂₂O₄
• 分子量：278.34
• 相关类别： 分析化学 标准品 农业和环境标准品
• 发布时间：2018-09-20 22:31:48
• 更新时间：2024-01-05 10:40:51
• Phthalic acid mono-2-ethylhexyl ester (MEHP) 是邻苯二甲酸二己酯 (DEHP) 的主要生物活性代谢物,可抑制 CYP17 的 17,20 裂合酶活性。

名称

• 中文名: 邻苯二甲酸单乙基己基酯
• 英文名: mono(2-ethylhexyl) phthalate
• 中文别名: 邻苯二甲酸单(2-乙基己基)酯
• 英文别名: UNII:FU2EWB60RT; 2-(((2-Ethylhexyl)oxy)carbonyl)benzoic acid; 2-(2-ethylhexoxycarbonyl)benzoic acid; mono(2-ethylhexyl) phthalate; 2-{[(2-Ethylhexyl)oxy]carbonyl}benzoic acid; Mono(2-ethylhexyl)phthalate [MEHP]; rac Mono(ethylhexyl) Phthalate; 1,2-Benzenedicarboxylic acid, mono(2-ethylhexyl) ester; Monoethylhexyl phthalate (mEHP); EINECS 224-477-1

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 408.9±28.0 °C at 760 mmHg
• 熔点: 25-27ºC
• 分子式: C₁₆H₂₂O₄
• 分子量: 278.34
• 闪点: 144.1±17.5 °C
• 精确质量: 278.151794
• PSA: 63.60000
• LogP: 4.66
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.517
• 储存条件:

  常温，避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：77.34

  2、 摩尔体积（m³/mol）：255.7

  3、 等张比容（90.2K）：650.1

  4、 表面张力（dyne/cm）：41.7

  5、 极化率（10 ^-24cm ³）：30.66

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  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63.6

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:314

  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:1

  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

• 更多:

  1. 性状：不确定

  2. 密度（g/mL,25/4℃）：1.07

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC）：不确定

  6. 沸点（ºC, 0.4 mmHg）：不确定

  7. 折射率：不确定

  8. 闪点（°F）：不确定

  9. 比旋光度（º）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

生物活性

• 描述: Phthalic acid mono-2-ethylhexyl ester (MEHP) 是邻苯二甲酸二己酯 (DEHP) 的主要生物活性代谢物,可抑制 CYP17 的 17,20 裂合酶活性。
• 相关类别:
  信号通路 >> 其他 >> 其他
  研究领域 >> 代谢疾病
• 参考文献:

  [1]. Bai J, et al. Mono-2-ethylhexyl phthalate induces the expression of genes involved in fatty acid synthesis in HepG2 cells. Environ Toxicol Pharmacol. 2019 Jul;69:104-111.

  [2]. Chauvigné F, et al. Mono-(2-ethylhexyl) phthalate directly alters the expression of Leydig cell genes and CYP17 lyase activity in cultured rat fetal testis. PLoS One. 2011;6(11):e27172.

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境 CHEMICAL IDENTIFICATION RTECS NUMBER : TI2500000 CHEMICAL NAME : Phthalic acid, mono-(2-ethylhexyl) ester CAS REGISTRY NUMBER : 4376-20-9 LAST UPDATED : 199712 DATA ITEMS CITED : 40 MOLECULAR FORMULA : C16-H22-O4 MOLECULAR WEIGHT : 278.38 WISWESSER LINE NOTATION : QVR BVO1Y4&2 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1340 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 415 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 150 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 240 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 208 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 7 gm/kg/14D-I TOXIC EFFECTS : Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 8400 mg/kg/1W-C TOXIC EFFECTS : Liver - changes in liver weight Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Metabolism (Intermediary) - lipids including transport TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 168 mg/kg/28D-C TOXIC EFFECTS : Blood - pigmented or nucleated red blood cells Blood - changes in leukocyte (WBC) count TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 675 mg/kg/90D-C TOXIC EFFECTS : Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 6825 mg/kg/26W-C TOXIC EFFECTS : Liver - changes in liver weight TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - hamster DOSE/DURATION : 7 gm/kg/14D-I TOXIC EFFECTS : Liver - changes in liver weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - hepatic microsomal mixed oxidase (dealkylation, hydroxylation, etc.) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - other transferases TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 4500 mg/kg SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Newborn - other neonatal measures or effects TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 6320 ug/kg SEX/DURATION : male 7 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 3750 mg/kg SEX/DURATION : male 5 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 1 gm/kg SEX/DURATION : male 20 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal DOSE : 500 mg/kg SEX/DURATION : male 10 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - other effects on male TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 4360 mg/kg SEX/DURATION : female 6-13 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 100 mg/kg SEX/DURATION : female 7 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 350 mg/kg SEX/DURATION : male 1 day(s) pre-mating TOXIC EFFECTS : Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 100 mg/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 1241 mg/kg SEX/DURATION : female 1-17 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - other effects to embryo TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 9 gm/kg SEX/DURATION : male 9 day(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - testes, epididymis, sperm duct TYPE OF TEST : Specific locus test TYPE OF TEST : Morphological transformation TYPE OF TEST : Cytogenetic analysis MUTATION DATA TYPE OF TEST : Mutation in mammalian somatic cells TEST SYSTEM : Rodent - hamster Lung DOSE/DURATION : 750 mg/L REFERENCE : ESKGA2 Eisei Kagaku. Hygienic Chemistry. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) V.1- 1953- Volume(issue)/page/year: 28,P36,1982

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-36/37/39
• RTECS号: TI2500000
• 海关编码: 2922509090

合成路线

85-44-9 104-76-7 ~% 4376-20-9

文献：Environmental Science and Technology, , vol. 35, # 18 p. 3757 - 3763

117-81-7 ~% 4376-20-9

文献：Biological and Pharmaceutical Bulletin, , vol. 20, # 7 p. 749 - 751

85-44-9 104-76-7 ~0% 117-81-7 4376-20-9 详细

文献：Collection of Czechoslovak Chemical Communications, , vol. 49, # 1 p. 253 - 266

110-86-1 85-44-9 104-76-7 ~% 4376-20-9

文献：Journal of the Chemical Society, , p. 637

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85-44-9 104-76-7 117-81-7 110-86-1
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海关

海关编码	2922509090
中文概述	2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件：AB. 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
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	2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%