1,4-二氧六环 1,4-Dioxane

概况

1,4-二氧六环化学式
  • 中文名称

    1,4-二氧六环; 二氧六环

  • 英文名称

    1,4-Dioxane; 1,4-dioxane; p-dioxan; DIOXANE

  • 化学式

    C4H8O2

  • 分子量

    88.11

  • 分类属性

    脂肪醇四碳二噁烷

  • 类药性

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编码系统

物化性质

  • 物理描述 Physical Description

    Dioxane appears as a clear colorless liquid with a faint ethereal odor. Flash point 55°F. Slightly denser than water and soluble in water. Vapors heavier than air. Susceptible to autooxidation to form peroxides.

  • 颜色/状态 Color Form

    Colorless liquid or solid (below 53 degrees F)

  • 气味 Odor

    Faint pleasant odor

  • 沸点 Boiling Point

    101.5 °C

  • 熔点 Melting Point

    11.8 °C

  • 闪点 Flash Point

    12 °C c.c.

  • 溶解度 Solubility

    In water, >800 g/L at 25 °C

  • 密度 Density

    1.0337 g/cu cm at 20 °C

  • 蒸气密度 Vapor Density

    3.03 (NTP, 1992) (Relative to Air)

  • 蒸汽压力 Vapor Pressure

    38.1 mm Hg at 25 °C

  • 亨利常数 Henrys Law Constant

    4.80e-06 atm-m3/mole

  • 稳定性/保质期 Stability Shelf Life

    Stable under recommended storage conditions. Test for peroxide formation before distillation or evaporation. Test for peroxide formation or discard after 1 year. Stable under recommended storage conditions.

  • 自燃温度 Autoignition Temperature

    Autoignition temperature, 356 °F, (180 °C)

  • 分解 Decomposition

    When heated to decomposition it emits acrid smoke and irritating fumes.

  • 粘度 Viscosity

    0.0120 centipoise at 25 °C

  • 燃烧热 Heat Of Combustion

    581 kcal/mol

  • 汽化热 Heat Of Vaporization

    34.15 kJ/mol at 101.5 °C; 38.60 kJ/mol at 25 °C

  • 表面张力 Surface Tension

    32.75 mN/m at 25 °C; 29.28 mN/m at 50 °C

  • 电离电位 Ionization Potential

    9.13 eV

  • 气味阈值 Odor Threshold

    ...Air threshold of recognition at 170 ppm. This odor recognition threshold allows for dioxane to be detected before acute toxic effects occur.

  • 折光率 Refractive Index

    Index of refraction: 1.4224 20 °C

  • 相对蒸发率 Relative Evaporation Rate

    2.7 (Butyl acetate = 1)

  • 保留指数 Kovats Retention Index

    690;690;731.3;718;705;721;697;696;696;698;690;692;694;690;693;696;699;696;696;697;686;680;687.3;690;702;690;696;686;692;687

  • 其他实验性质 Other Experimental Properties

    Cryoscopic constant: 4.83; heat of fusion: 2.98 kcal/mol; specific heat: 0.0370 kcal/mol/deg C at 20 °C; azeotropic mixture with water: 81.6% dioxane, bp 87.8 °C; azeotropic mixture with ethanol: 9.3% dioxane, bp 78.1 °C

  • 辛醇/水分配系数 LogP

    -0.27 (LogP)

  • 辛醇/空气分配系数 Logkoa

    3.18 (Octanol-Air partition coefficient)

  • 大气OH速率常数 Atmospheric Oh Rate Constant

    1.09e-11 cm3/molecule*sec

计算性质

  • 辛醇/水分配系数 LogP

    -0.3

  • 重原子数 Heavy atoms count

    6

  • 可旋转键数 Rotatable bond count

    0

  • 环数 Number of rings

    1

  • sp3杂化的碳原子比例 Carbon bond saturation (Fsp3)

    1

  • 拓扑面积 Polar surface area (Å)

    18.5

  • 氢给体数 Hydrogen bond donors count

    0

  • 氢受体数 Hydrogen bond acceptors count

    2

分类

ADME

吸收、分配和排泄
代谢
吸收、分配和排泄

... Readily absorbed through the intact skin ...

展开
代谢

Dioxane can be absorbed after inhalational or dermal exposure. Dermal absorption occurs but to a much lesser extent than absorption via other routes.

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晶体信息

安全信息

  • 危险品标志

    F

  • WGK Germany

    3

  • 危险品运输编号

    UN 1993 3/PG 2

  • 海关编码

    2942000000

  • 危险标志

    GHS02;GHS07;GHS08

  • RTECS号

    JG8225000

  • 包装等级

    II

  • 危险类别

    3

  • 安全说明
    S23;S45;S36/37;S9;S26;S53;S16;S62;S7;S46;S24/25
  • 危险类别码
    R40;R66;R36/37;R11;R19
  • 危险性描述
    H225;H319;H335;H351
  • 危险性防范说明
    P210;P261;P281;P305 + P351 + P338

SDS

提供商 修订日期 查看
POCH 2008-09-15 点击查看
Acros Organics 2014-05-14 点击查看
Avantor 2014-04-04 点击查看
Fisher Scientific 2018-01-23 点击查看
PANREAC APPLICHEM 2020-02-18 点击查看
Sigma Aldrich 2021-10-01 点击查看
ThermoFisher 2020-02-14 点击查看
EMD Millipore 2021-10-02 点击查看
EMD Millipore 2021-10-01 点击查看
EMD Millipore 2017-08-14 点击查看
EMD Millipore 2022-01-12 点击查看
Sigma Aldrich 2022-05-04 点击查看
ThermoFisher 2013-11-25 点击查看
GFS Chemicals 2014-01-03 点击查看
Science Lab 2013-05-21 点击查看
EMD Millipore 2018-09-13 点击查看
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