2,4,5-涕酸丁酯
- 中文名称：
- 2,4,5-涕酸丁酯
- 中文别名：
- 2,4,5-涕酸丁酯;
2,4,5-涕酸-1-丁酯;
2,4,5-涕酸正丁酯
- 英文名称：
- Acetic acid,2-(2,4,5-trichlorophenoxy)-, butyl ester
- 英文别名：
- 2,4,5-T-butyl;
butyl 2-(2,4,5-trichlorophenoxy)acetate;
2,4,5-T n-butyl ester;
butyl (2,4,5-trichlorophenoxy)acetate
- CAS No.：
- 93-79-8
- 分 子 式：
-
C12H13Cl3O3
- 分 子 量：
- 311.59
- 精确分子量：
- 309.99300
- PSA：
- 35.53000
- EINECS：
- 202-277-5
- InChI：
- The Key: FNEXNZUHBCBQTI-UHFFFAOYSA-N3
- 分子结构式：
-
- SDS：
- 查看
2,4,5-涕酸丁酯 物化性质
- 密度：
- 1.324g/cm3
- 沸点：
- 371.9ºC at 760 mmHg
- 闪点：
- 142.2ºC
- 折射率：
- 1.528
- 存储条件/存储方法：
- 库房通风低温干燥
2,4,5-涕酸丁酯 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- AJ8485000
- CHEMICAL NAME :
- Acetic acid, (2,4,5-trichlorophenoxy)-, butyl ester
- CAS REGISTRY NUMBER :
- 93-79-8
- BEILSTEIN REFERENCE NO. :
- 2336131
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 13
- MOLECULAR FORMULA :
- C12-H13-Cl3-O3
- MOLECULAR WEIGHT :
- 311.60
- WISWESSER LINE NOTATION :
- GR BG DG EO1VO4
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- Standard Draize test
- ROUTE OF EXPOSURE :
- Administration into the eye
- SPECIES OBSERVED :
- Rodent - rabbit
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2 mg/kg
- SEX/DURATION :
- female 1-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Effects on Embryo or Fetus - fetal death
Reproductive - Effects on Newborn - live birth index (measured after birth)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 200 ug/kg
- SEX/DURATION :
- female 7-8 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - urogenital system
Reproductive - Specific Developmental Abnormalities - other developmental
abnormalities
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 2 mg/kg
- SEX/DURATION :
- female 1-20 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or
resorbed implants per total number of implants)
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured
before birth)
Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 748 mg/kg
- SEX/DURATION :
- female 11-13 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
e.g., stunted fetus)
Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 1246 mg/kg
- SEX/DURATION :
- female 12-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetal death
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 120 mg/kg
- SEX/DURATION :
- female 6-15 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 :
- 740 mg/kg
- SEX/DURATION :
- female 6-15 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - craniofacial
(including nose and tongue)
- TYPE OF TEST :
- Cytogenetic analysis
MUTATION DATA
- TEST SYSTEM :
- Rodent - rat
- DOSE/DURATION :
- 10 ug/kg
- REFERENCE :
- ECBUDQ Ecological Bulletins. (Editorial Service of FRN, Box 6710, S-11385,
Stockholm, Sweden) No.19- 1975- Volume(issue)/page/year: 27,182,1978
2,4,5-涕酸丁酯 海关数据
中国海关编码：2918990090
- 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
- 摘要/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%
2,4,5-涕酸丁酯 分子结构与计算化学数据
分子结构数据
1、 摩尔折射率：72.55
2、 摩尔体积（cm3/mol）：235.3
3、 等张比容（90.2K）：595.2
4、 表面张力（dyne/cm）：40.9
5、 极化率（10-24cm3）：28.76
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:3
4.可旋转化学键数量:7
5.互变异构体数量:无
6.拓扑分子极性表面积35.5
7.重原子数量:18
8.表面电荷:0
9.复杂度:263
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
