106-85-4

• 常用中文名：7-Oxabicyclo[4.1.0]heptane-3-methanol,4-methyl-, 3-acetate
• 常用英文名：7-Oxabicyclo[4.1.0]heptane-3-methanol,4-methyl-, 3-acetate
• CAS号：106-85-4
• 分子式：C₁₀H₁₆O₃
• 分子量：184.23200
• 发布时间：2017-08-31 21:44:17
• 更新时间：2024-09-14 06:30:26

名称

• 英文名: (3-methyl-7-oxabicyclo[4.1.0]heptan-4-yl)methyl acetate
• 英文别名: 7-Oxabicyclo(4.1.0)heptane-3-methanol,4-methyl-,acetate; Acetic acid,3,4-epoxy-6-methylcyclohexyl methyl ester; 6-Methyl-3,4-epoxycyclohexylmethyl acetate; 3,4-Epoxy-6-methylcyclohexylmethyl acetate; 4-Methyl-7-oxobicyclo(4.1.0)heptane-3-methanol,acetate

物化性质

• 密度: 1.059g/cm3
• 沸点: 239.5ºC at 760 mmHg
• 分子式: C₁₀H₁₆O₃
• 分子量: 184.23200
• 闪点: 100.4ºC
• 精确质量: 184.11000
• PSA: 38.83000
• LogP: 1.36300
• 蒸汽压: 0.0401mmHg at 25°C
• 折射率: 1.461
• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.4

  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:3

  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:13

  8.表面电荷:0

  9.复杂度:214

  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:4

  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 : RN8760000 CHEMICAL NAME : 7-Oxabicyclo(4.1.0)heptane-3-methanol, 4-methyl-, acetate CAS REGISTRY NUMBER : 106-85-4 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C10-H16-O3 MOLECULAR WEIGHT : 184.26 WISWESSER LINE NOTATION : T36 BOTJ E1OV1 F 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 : 9800 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 : 7940 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