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- 2,2'-[乙烷-1,2-二基双(氧)]二乙基酯
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
- 上游产品
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 基本信息
- 中文名称：
- 2,2'-[乙烷-1,2-二基双(氧)]二乙基酯
- 中文别名：
- 2,2'-[乙烷-1,2-二基双(氧)]二乙基酯
- 英文名称：
- Ethanol,2,2'-[(1,2-ethanediyl)bis(oxy)]bis-, 1,1'-dinitrate
- 英文别名：
- 2-[2-(2-nitrooxyethoxy)ethoxy]ethyl nitrate;
2,2'-(1,2-Ethanediylbis(oxy))bisethanol,dinitrate;
O,O'-Dinitro-triaethylenglykol;
1,2-bis-(2-nitryloxy-ethoxy)-ethane;
Triaethylenglykol-dinitrat;
2,2'-(Ethane-1,2-diylbis(oxy))bisethyl dinitrate;
TEGDN;
Ethanol,2,2'-[1,2-ethanediylbis(oxy)]bis-,dinitrate;
EINECS 203-847-6;
1,2-Bis-(2-nitryloxy-aethoxy)-aethan;
triethyleneglycol-dinitrate;
1,2-bis-(2-nitrooxy-ethoxy)-ethane
- CAS No.：
- 111-22-8
- 分 子 式：
- C6H12N2O8
- 分 子 量：
- 240.20
- 精确分子量：
- 240.05900
- PSA：
- 128.56000
- EINECS：
- 203-847-6
- InChI：
- The Key: AGCQZYRSTIRJFM-UHFFFAOYSA-N
- 安全术语：
- Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. Questionable carcinogen with experimental carcinogenic data. When heated to decomposition it emits toxic fumes of NOx. See also NITRATES.
- 分子结构式：
-
- SDS：
- 查看
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 物化性质
- 密度：
- 1.344g/cm3
- 沸点：
- 327.2ºC at 760mmHg
- 闪点：
- 146.9ºC
- 折射率：
- 1.459
- 蒸汽压：
- 0.000392mmHg at 25°C
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 安全信息
- 风险类别：
- 1.1A
- 海关代码：
- 2920909090
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- YE5500000
- CHEMICAL NAME :
- Triethylene glycol, dinitrate
- CAS REGISTRY NUMBER :
- 111-22-8
- BEILSTEIN REFERENCE NO. :
- 1714096
- LAST UPDATED :
- 199709
- DATA ITEMS CITED :
- 9
- MOLECULAR FORMULA :
- C6-H12-N2-O8
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 :
- 1 gm/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
Blood - methemoglobinemia-carboxyhemoglobin
Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 796 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - irritability
Lungs, Thorax, or Respiration - respiratory depression
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2520 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
Blood - methemoglobinemia-carboxyhemoglobin
Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1866 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex)
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-
1990- Volume(issue)/page/year: 12,606,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 945 mg/kg
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - respiratory depression
Blood - methemoglobinemia-carboxyhemoglobin
Vascular - BP lowering not characterized in autonomic section
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >2 gm/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - muscle contraction or spasticity
Behavioral - irritability
- REFERENCE :
- ATDAEI Acute Toxicity Data. Journal of the American College of Toxicology,
Part B. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-
1990- Volume(issue)/page/year: 12,604,1993
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 700 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 106 gm/kg/3W-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf
Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year:
34,526,1973
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 海关数据
中国海关编码：2920909090
- 概述：
- 2920909090 其他无机酸酯（不包括卤化氢的酯）（包括其盐及它们的卤化，磺化，硝化和亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。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
- 摘要/Summary：
- 2920909090 esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and their salts; their halogenated, sulphonated, nitrated or nitrosated derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：48.87
2、 摩尔体积（cm3/mol）：178.5
3、 等张比容（90.2K）：466.6
4、 表面张力（dyne/cm）：46.6
5、 极化率（10-24cm3）：19.37
计算化学数据
1.疏水参数计算参考值（XlogP）:0.5
2.氢键供体数量:0
3.氢键受体数量:8
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129
7.重原子数量:16
8.表面电荷:0
9.复杂度:178
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
2,2'-[乙烷-1,2-二基双(氧)]二乙基酯 上游产品
