13257-44-8

• 常用中文名：1,1-二甲氧基-2-壬炔
• 常用英文名：2-nonyn-1-al dimethyl acetal
• CAS号：13257-44-8
• 分子式：C₁₁H₂₀O₂
• 分子量：184.27500
• 发布时间：2018-09-22 23:12:18
• 更新时间：2024-07-18 17:27:48

名称

• 中文名: 1,1-二甲氧-2-壬炔
• 英文名: 1,1-dimethoxynon-2-yne
• 英文别名: EINECS 236-249-9; 2-Nonyne,1,1-dimethoxy; 2-Nonynal dimethylacetal; 1,1-dimethoxy-2-nonyne; 2-Nonyl-1-al dimethyl acetal; 2-Nonyn-1-al dimethylacetal; Parmavert

物化性质

• 密度: 0.892g/cm3
• 沸点: 246.1ºC at 760mmHg
• 分子式: C₁₁H₂₀O₂
• 分子量: 184.27500
• 闪点: 80.4ºC
• 精确质量: 184.14600
• PSA: 18.46000
• LogP: 2.57910
• 蒸汽压: 0.0434mmHg at 25°C
• 折射率: 1.44
• 储存条件: 2-8°C，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.3

  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:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:159

  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

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : RB3384000 CHEMICAL NAME : 2-Nonynal, dimethyl acetal CAS REGISTRY NUMBER : 13257-44-8 LAST UPDATED : 199701 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C11-H20-O2 MOLECULAR WEIGHT : 184.31 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,779,1982 ** 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 : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,779,1982 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 : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 20,779,1982

安全

• 危害码 (欧洲): Xi

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