976-56-7

• 常用中文名：抗氧剂1222
• 常用英文名：Diethyl 3,5-di-tert-butyl-4-hydroxybenzyl phosphate
• CAS号：976-56-7
• 分子式：C₁₉H₃₃O₄P
• 分子量：356.43700
• 相关类别： 催化剂及助剂 抗氧剂
• 发布时间：2018-09-28 10:00:25
• 更新时间：2024-01-02 18:07:25
• 【用途一】
  该品为含磷受阻酚抗氧剂，有很好的耐抽提性。特别适用于聚酯防老化。一般在缩聚前加入，因其是聚酯缩聚的催化剂。亦可用于聚酰胺作光稳定剂，并有抗氧作用。与紫外线吸收剂并用有协同效应。一般用量为0.3-1.0份。该品还可用作对苯二甲酸二甲酯在贮存和运输中的稳定剂。该品毒性低。小白鼠口服LD50>5000mg/kg。

名称

• 中文名: 抗氧剂 1222
• 英文名: 3,5-di-tert-butyl-4-hydroxybenzyl-phosphonic acid diethyl ester
• 中文别名: 抗氧剂1222; 3,5-二叔丁基-4-羟基苯甲基磷酸二乙酯; 3,5-二叔丁基-4-羟基苄基二乙基膦酸酯
• 英文别名: Phosphonic acid,[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-,diethyl ester; Diethyl ((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)methyl)phosphonate; diethyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate; EINECS 213-551-9; diethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methanephosphonate; MFCD00227871; diethyl 4-hydroxy-3,5-di-tert-butylbenzylphosphonate; O,O-diethyl (3,5-ditert-butyl-4-hydroxybenzyl)phosphonate; 4-Hydroxy-3.5-di-tert.-butyl-phenyl-methan-phosphonsaeurediethylester

物化性质

• 密度: 1.046g/cm3
• 沸点: 417ºC at 760mmHg
• 熔点: 122 °C
• 分子式: C₁₉H₃₃O₄P
• 分子量: 356.43700
• 闪点: 206ºC
• 精确质量: 356.21200
• PSA: 65.57000
• LogP: 5.75330
• 外观性状: 固体;White to Almost white powder to crystal
• 折射率: 1.491
• 储存条件:

  本品不需要特殊的安全措施，储存时注意防潮。按一般工业化学品来处理。

• 稳定性:

  白色或微黄色结晶粉末,低毒。

• 水溶解性: 可溶于：甲醇
• 分子结构:

  1、 摩尔折射率：98.72

  2、 摩尔体积（cm³/mol）：340.4

  3、 等张比容（90.2K）：825.7

  4、 表面张力（dyne/cm）：34.6

  5、 极化率（10^-24cm³）：39.13

• 计算化学:

  1.疏水参数计算参考值（XlogP）:4.7

  2.氢键供体数量:1

  3.氢键受体数量:4

  4.可旋转化学键数量:8

  5.互变异构体数量:2

  6.拓扑分子极性表面积55.8

  7.重原子数量:24

  8.表面电荷:0

  9.复杂度:402

  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

• 更多:

  1. 性状：白色或微黄色结晶性粉末。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：159-161

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：微溶于水，20℃时在100ml下列溶剂中的溶解克数为：丙酮27，甲醇62，苯33，氯仿50，正己烷0.6，乙酸乙酯20，水0.01

MSDS

Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbolsNone No signal word Signal word Hazard statementsNone None Precautionary statements: Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate Percent:>98.0%(LC) CAS Number:976-56-7 Synonyms:3,5-Di-tert-butyl-4-hydroxybenzylphosphonic Acid Diethyl Ester Chemical Formula:C19H33O4P Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Diethyl 3,5-Di-tert-butyl-4- hydroxybenzylphosphonate Section5. FIRE-FIGHTING MEASURES Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Use personal protective equipment. Keep people away from and upwind of spill/leak. Personal precautions, protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Handling is performed in a well ventilated place. Wear suitable protective equipment. Technical measures: Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder White - Almost white Colour: Odour:No data available pH: No data available Melting point/freezing point:122°C No data available Boiling point/range: Flash point:No data available Flammability or explosive limits: No data available Lower: Upper:No data available No data available Relative density: Solubility(ies): No data available [Water] [Other solvents] Methanol Soluble: Diethyl 3,5-Di-tert-butyl-4- hydroxybenzylphosphonate Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Phosphorus oxides products: Section11. TOXICOLOGICAL INFORMATION No data available Acute Toxicity: Skin corrosion/irritation: No data available No data available Serious eye damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available No data available Reproductive toxicity: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. Diethyl 3,5-Di-tert-butyl-4- hydroxybenzylphosphonate SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 小白鼠口服毒性LD50>5000ml/kg。

安全

• 危害码 (欧洲): Xi: Irritant;

合成路线

128-39-2 ~% 976-56-7

文献：US5618963 A1, ;

87-97-8 122-52-1 ~91% 976-56-7

文献：Mukmeneva, N. A.; Cherkasova, O. A.; Kadyrova, V. Kh. J. Gen. Chem. USSR (Engl. Transl.), 1992 , vol. 62, # 2.2 p. 468 - 469,380 - 381

794-53-6 762-04-9 ~94% 976-56-7 109-89-7

文献：Ovchinnikov, V. V.; Cherkasova,, O. A.; Mukmeneva, N. A.; Luakumovich, A. G.; Pudovik, A. N. J. Gen. Chem. USSR (Engl. Transl.), 1981 , vol. 51, # 5 p. 999 - 1002,834 - 837

762-04-9 88-27-7 ~77% 976-56-7

文献：Mukmeneva, N. A.; Kadyrova, V.Kh.; Zharkova, V.M. J. Gen. Chem. USSR (Engl. Transl.), 1992 , vol. 62, # 7.2 p. 1670 - 1671,1372

14387-17-8 122-52-1 ~79% 976-56-7

文献：Mukmeneva, N. A.; Cherezova, E. N.; Zhukova, R. S. Russian Journal of General Chemistry, 1994 , vol. 64, # 6.2 p. 947 Zhurnal Obshchei Khimii, 1994 , vol. 64, # 6 p. 1049

51917-73-8 122-52-1 ~74% 976-56-7

文献：Ismagilov, R. K.; Moskva, V. V.; Arkhipov, V. P.; Ivantsov, A. E.; Kopylova, L. Yu. J. Gen. Chem. USSR (Engl. Transl.), 1991 , vol. 61, # 2.1 p. 387 - 391,349 - 352

88-27-7 122-52-1 ~40% 976-56-7

文献：Ismagilov, R. K.; Moskva, V. V.; Arkhipov, V. P.; Ivantsov, A. E.; Kopylova, L. Yu. J. Gen. Chem. USSR (Engl. Transl.), 1991 , vol. 61, # 2.1 p. 387 - 391,349 - 352

上下游产品

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128-39-2 87-97-8 122-52-1 794-53-6
762-04-9 88-27-7 14387-17-8 51917-73-8
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2455-14-3

制备

由2,6-二叔丁基苯酚与甲醛、二甲胺反应生成3,5-二叔丁基-4-羟基苄基二甲胺，再与亚磷酸二乙酯缩合而得。把2,6-二叔丁基苯酚、甲醛、二甲胺加到乙醇中，在氮气保护下，于75-80℃、1-1.4MPa压力下反应，得到3,5-二叔丁基-4-羟基苄基二甲胺。然后，在甲醇钠催化下，与亚磷酸二乙酯反应，制得抗氧剂1222。