935-92-2

• 常用中文名：三甲基对苯醌
• 常用英文名：trimethyl-p-benzoquinone
• CAS号：935-92-2
• 分子式：C₉H₁₀O₂
• 分子量：150.174
• 发布时间：2018-08-27 16:25:52
• 更新时间：2024-01-03 18:01:27

名称

• 中文名: 2,3,5-三甲基-2,5-环己二烯-1,4-二酮
• 英文名: 2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione
• 中文别名: 2,3,5-三甲基苯醌; 2,3,5-三甲基-1,4-苯醌; 2,3,6-三甲基对苯醌; 三甲基对苯醌
• 英文别名: Pseudocumoquinone; Trimethyl-1,4-benzoquinone; trimethyl-p-benzoquinone; Trimethyl-p-quinone; Trimethylquinone; 2,3,5-trimethylbenzo-1,4-quinone; Trimethylbenzoquinone; 2,3,5-Trimethyl-1,4-benzoquinone; 2,3,6-trimethyl-p-benzoquinone; 2,3,5-trimethyl-p-benzoquinone; p-Pseudocumoquinone; 2,3,6-trimethyl-1,4-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-; Cumoquinone; 2,3,5-Trimethylbenzoquinone

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 215.3±15.0 °C at 760 mmHg
• 熔点: 26 °C
• 分子式: C₉H₁₀O₂
• 分子量: 150.174
• 闪点: 77.3±17.4 °C
• 精确质量: 150.068085
• PSA: 34.14000
• LogP: 2.04
• 外观性状: 固体;Light yellow to Yellow to Orange powder to crystal
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.501
• 储存条件: 0-10°C
• 稳定性:

  1. 存在于烟气中。

• 水溶解性: 可溶于：丙酮
• 分子结构:

  1、 摩尔折射率：41.25

  2、 摩尔体积（cm³/mol）：139.9

  3、 等张比容（90.2K）：335.2

  4、 表面张力（dyne/cm）：32.8

  5、 极化率（10-24cm3）：16.35

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:18

  6.拓扑分子极性表面积34.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:293

  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

• 更多:

  1. 熔点（ºC）：27~28

  2. 沸点（ºC）：215

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : GU4709600 CHEMICAL NAME : 2,5-Cyclohexadien-1,4-dione, 2,3,5-trimethyl- CAS REGISTRY NUMBER : 935-92-2 LAST UPDATED : 199710 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C9-H10-O2 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 : 200 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545315 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0291-1191 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 25 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545315 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - tremor Skin and Appendages - hair REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0545315 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 18 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - other changes REFERENCE : NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0529741-1 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPASR* United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. (U.S. Environmental Protection Agency, 401 M St., SW, Washington, DC 20460) History unknown. Volume(issue)/page/year: 8EHQ-0291-1191

安全

• 海关编码: 2914690090

合成路线

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海关

海关编码	2914690090
中文概述	2914690090 其他醌. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
Summary	2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%