2,5-Cyclohexadiene-1,4-dione,2,3,5-trimethyl-
- 中文别名：2,3,5-三甲基-2,5-环己二烯-1,4-二酮
- 中文释义：2,3,5-三甲基-2,5-环己二烯-1,4-二酮;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：2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione;
2,3,5-trimethylbenzo-1,4-quinone;
Cumoquinone;
p-Pseudocumoquinone;
Trimethyl-p-quinone;
2,3,6-trimethyl-p-benzoquinone;
Trimethyl-p-benzoquinone;
2,3,6-trimethyl-1,4-benzoquinone;
Trimethyl-1,4-benzoquinone;
Trimethylbenzoquinone;
Trimethylquinone;
Pseudocumoquinone;
2,3,5-trimethyl-p-benzoquinone;
2,3,5-Trimethyl-1,4-benzoquinone
- CAS No.：935-92-2
- 分子式：
C9H10O2
- 分子量：150.18
- 精确分子量：150.06800
- PSA：34.14000
- InChI：InChI=1/C9H10O2/c1-5-4-8(10)6(2)7(3)9(5)11/h4H,1-3H3
- 分子结构式：
物化性质
- 密度：
- 1.072g/cm3
- 沸点：
- 215.3ºC at 760mmHg
- 闪点：
- 77.3ºC
- 折射率：
- 1.501
- 稳定性相关：
1. 存在于烟气中。
- 其它信息：
1. 熔点（ºC）：27~28
2. 沸点（ºC）：215
安全信息
- 密度：
- 1.072g/cm3
- 沸点：
- 215.3ºC at 760mmHg
- 闪点：
- 77.3ºC
- 折射率：
- 1.501
- 稳定性相关：
1. 存在于烟气中。
- 其它信息：
1. 熔点（ºC）：27~28
2. 沸点（ºC）：215
毒理性
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
海关数据
中国海关编码：2914690090
- 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%
- 摘要/Summary：
- 2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%
分子结构与计算化学数据
分子结构数据
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
计算化学数据
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
