2-Oxiraneoctanoic acid,3-octyl-, 2-ethylhexyl ester
- 中文别名：环氧硬脂酸辛酯
- 中文释义：环氧硬脂酸辛酯;2-乙基环氧硬脂酸己酯;3-辛基环氧化乙烷辛酸-2-乙基己酯;9,10-环氧硬脂酸2-乙基己酯
- 英文别名：2-ethylhexyl 8-(3-octyloxiran-2-yl)octanoate;
2-Ethylhexyl 9,10-epoxyoctadecanoate;
EINECS 205-482-8;
Oxiraneoctanoic acid,3-octyl-,2-ethylhexyl ester;
2-ethylhexyl 3-octyloxiran-2-octanoate;
2-Ethylhexyl-epoxystearat;
2-ETHYLHEXYL EPOXYSTEARATE;
Octadecanoic acid,9,10-epoxy-,2-ethylhexyl ester;
9,10-Epoxyoctadecanoic acid,2-ethylhexyl ester
- CAS No.：141-38-8
- 分子式：C26H50O3
- 分子量：410.6734
- 精确分子量：410.37600
- PSA：38.83000
- InChI：The Key: PUYRISKXBBQECH-UHFFFAOYSA-N
- 分子结构式：
物化性质
- 密度：
- 0.899
- 闪点：
- 265ºC
- 折射率：
- 1.4537
安全信息
- 密度：
- 0.899
- 闪点：
- 265ºC
- 折射率：
- 1.4537
毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- RG1600000
- CHEMICAL NAME :
- Octadecanoic acid, 9,10-epoxy-, 2-ethylhexyl ester
- CAS REGISTRY NUMBER :
- 141-38-8
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C26-H50-O3
- MOLECULAR WEIGHT :
- 410.76
- WISWESSER LINE NOTATION :
- T3OTJ B8 C7VO1Y4&2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- Open irritation test
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- REFERENCE :
- AIHAAP American Industrial Hygiene Association Journal. (AIHA, 475 Wolf Ledges Pkwy., Akron, OH 44311) V.19- 1958- Volume(issue)/page/year: 23,95,1962 ** ACUTE TOXICITY DATA **
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 30800 uL/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: 23,95,1962
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- >20 mL/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: 23,95,1962 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0727 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 330 (estimated) No. of Female Employees: 115 (estimated)
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%
分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:9.6
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:22
5.互变异构体数量:无
6.拓扑分子极性表面积:38.8
7.重原子数量:29
8.表面电荷:0
9.复杂度:382
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:3
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
