7143-69-3

• 常用中文名：苯乙酸-1-乙烯基-1,5-二甲基-4-己烯酯
• 常用英文名：Benzeneacetic acid,1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
• CAS号：7143-69-3
• 分子式：C₁₈H₂₄O₂
• 分子量：272.38200
• 发布时间：2018-12-18 17:31:04
• 更新时间：2024-02-01 18:21:17

名称

• 中文名: 苯乙酸-1-乙烯基-1,5-二甲基-4-己烯酯
• 英文名: 3,7-dimethylocta-1,6-dien-3-yl 2-phenylacetate
• 英文别名: 3,7-Dimethyl-1,6-octadien-3-yl phenylacetate; Benzeneacetic acid,1-ethenyl-1,5-dimethyl-4-hexenyl ester; Linalyl phenylacetate; 3,7-dimethylocta-1,6-dien-3-yl phenylacetate; FEMA No. 3501; EINECS 230-444-2; 1,5-Dimethyl-1-vinyl-4-hexenyl phenylacetate

物化性质

• 密度: 0.975g/cm3
• 沸点: 346.2ºC at 760 mmHg
• 分子式: C₁₈H₂₄O₂
• 分子量: 272.38200
• 闪点: 106.5ºC
• 精确质量: 272.17800
• PSA: 26.30000
• LogP: 4.46340
• 折射率: 1.509
• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.9

  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:8

  5.互变异构体数量:无

  6.拓扑分子极性表面积:26.3

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:346

  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:1

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : CY1595700 CHEMICAL NAME : Benzeneacetic acid, 1,5-dimethyl-1-ethenyl-4-hexenyl ester CAS REGISTRY NUMBER : 7143-69-3 LAST UPDATED : 199701 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C18-H24-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 : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,465,1976 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : >5 gm/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 14,465,1976