13403-01-5

• 常用中文名：2-(2,4-二特戊基苯氧基)丁酸
• 常用英文名：2-(2,4-Di-tert-pentylphenoxy)butryic acid
• CAS号：13403-01-5
• 分子式：C₂₀H₃₂O₃
• 分子量：320.46600
• 发布时间：2019-01-01 12:12:54
• 更新时间：2024-01-02 21:11:49

名称

• 中文名: 2-(2,4-二特戊基苯氧基)丁酸
• 英文名: 2-(2,4-Di-tert-pentylphenoxy)butanoic acid
• 中文别名: Γ-(2,4-二特戊基苯氧基)丁酸; 2-[2,4-二(1,1-二甲基丙基)苯氧基]丁酸
• 英文别名: MFCD00045895; 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid; EINECS 236-495-7

物化性质

• 密度: 0.988 g/cm3
• 沸点: 414.9ºC at 760 mmHg
• 熔点: 76-78ºC
• 分子式: C₂₀H₃₂O₃
• 分子量: 320.46600
• 闪点: 134.2ºC
• 精确质量: 320.23500
• PSA: 46.53000
• LogP: 5.30380
• 蒸汽压: 1.25E-07mmHg at 25°C
• 折射率: 1.493
• 计算化学:

  1.疏水参数计算参考值（XlogP）:6.8

  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:8

  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:23

  8.表面电荷:0

  9.复杂度:386

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : ET0600000 CHEMICAL NAME : Butyric acid, 2-(2,4-di-tert-pentylphenoxy)- CAS REGISTRY NUMBER : 13403-01-5 LAST UPDATED : 199707 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C20-H32-O3 MOLECULAR WEIGHT : 320.52 WISWESSER LINE NOTATION : QVY2&OR B1X1&1&1 D1X1&1&1 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 : >3200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : >20 mL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : KODAK* Kodak Company Reports. (343 State St., Rochester, NY 14650) Volume(issue)/page/year: 21MAY1971

安全

• 海关编码: 2918990090

合成路线

69080-71-3 ~99% 13403-01-5

文献：Sumitomo Chemical Company, Limited Patent: US5442114 A1, 1995 ;

80-58-0 120-95-6 ~% 13403-01-5

文献：US2511231 , ; US2801171 , ;

上下游产品

上游产品  3
69080-71-3 80-58-0 120-95-6
下游产品  1
40567-16-6

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%