123-36-4

• 常用中文名：2-Oxiraneoctanoic acid,3-octyl-, 2-propen-1-yl ester
• 常用英文名：2-Oxiraneoctanoic acid,3-octyl-, 2-propen-1-yl ester
• CAS号：123-36-4
• 分子式：C₂₁H₃₈O₃
• 分子量：338.52500
• 发布时间：2017-07-25 17:22:58
• 更新时间：2024-01-11 18:44:54

名称

• 英文名: 2-Oxiraneoctanoic acid,3-octyl-, 2-propen-1-yl ester
• 英文别名: Oxiraneoctanoic acid,3-octyl-,2-propenyl ester; Ep-145; Octadecanoic acid,9,10-epoxy-,allyl ester (8ci); Oxiraneoctanoic acid,3-octyl-,2-propenyl ester (9ci); Allyl-9,10-epoxystearate; 9,10-Epoxystearic acid,allyl ester; (+-)-8-(cis-3-Octyl-oxiranyl)-octansaeure-allylester; (+-)-8-(cis-3-octyl-oxiranyl)-octanoic acid allyl ester

物化性质

• 分子式: C₂₁H₃₈O₃
• 分子量: 338.52500
• 精确质量: 338.28200
• PSA: 38.83000
• LogP: 5.96430
• 计算化学:

  1.疏水参数计算参考值（XlogP）:7.1

  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:18

  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:24

  8.表面电荷:0

  9.复杂度:327

  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:2

  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.密度（g/cm³）：0.925。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : WI3325000 CHEMICAL NAME : Stearic acid, 9,10-epoxy-, allyl ester CAS REGISTRY NUMBER : 123-36-4 BEILSTEIN REFERENCE NO. : 0022707 LAST UPDATED : 199710 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C21-H38-O3 MOLECULAR WEIGHT : 338.59 WISWESSER LINE NOTATION : T3OTJ B8 C7VO2U1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Open irritation test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/5/1959 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1410 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/5/1959 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 15900 uL/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : UCDS** Union Carbide Data Sheet. (Union Carbide Corp., 39 Old Ridgebury Rd., Danbury, CT 06817) Volume(issue)/page/year: 3/5/1959

安全

• 海关编码: 2918990090

海关

海关编码	2918990090
中文概述	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
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%