抗氧剂 1222 | 976-56-7

• 物质功能分类: 催化剂及助剂 - 抗氧剂
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 抗氧剂 1222
• 中文别名: 3,5-二叔丁基-4-羟基苯甲基磷酸二乙酯；抗氧剂1222；3,5-二叔丁基-4-羟基苄基二乙基膦酸酯
• 英文名称: diethyl 4-hydroxy-3,5-di-tert-butylbenzylphosphonate
• 英文别名: 3,5-di-tert-butyl-4-hydroxybenzyl-phosphonic acid diethyl ester；4-Hydroxy-3.5-di-tert.-butyl-phenyl-methan-phosphonsaeurediethylester；diethyl (3,5-di-tert-butyl-4-hydroxyphenyl)methanephosphonate；O-diethyl-3,5-di-tert-butyl-4-hydroxybenzylphosphonate；diethyl (3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate；diethyl(3,5-di-tert-butyl-4-hydroxybenzyl)phosphonate；Diethyl 3,5-di-tert-butyl-4-hydroxybenzylphosphonate；2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol
• CAS: 976-56-7
• 化学式: C₁₉H₃₃O₄P
• mdl: MFCD00227871
• 分子量: 356.442
• InChiKey: GJDRKHHGPHLVNI-UHFFFAOYSA-N

物化性质

• 熔点：
  122 °C
• 沸点：
  417.0±33.0 °C(Predicted)
• 密度：
  1.046±0.06 g/cm3(Predicted)
• 溶解度：
  溶于甲醇
• LogP：
  2.9 at 23℃
• 稳定性/保质期：
  白色或微黄色的结晶粉末，低毒。

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 储存条件：
  本品无需特别的安全措施，储存时请注意防潮，并可按一般工业化学品处理。

SDS

Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate Revision number: 5
SAFETY DATA SHEET

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Section 1. IDENTIFICATION
Product name: Diethyl 3,5-Di-tert-butyl-4-hydroxybenzylphosphonate

Revision number: 5

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Section 2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDS Not classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDS Not classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols None
No signal word
Signal word
Hazard statements None
None
Precautionary statements:

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Section 3. 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

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Section 4. 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.

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Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing Dry 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

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Section 5. 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 protective When extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

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Section 6. 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.

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Section 7. 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.

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Section 8. 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.

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Section 9. 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

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Section 10. 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:

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Section 11. 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:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobility in soil
Log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. 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.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

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Section 15. 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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

化学性质
这是一种白色或微黄色的结晶性粉末，熔点在159至161℃之间。在不同溶剂中的溶解度如下：丙酮可溶解27克，甲醇62克，苯33克，氯仿50克，正己烷0.6克，乙酸乙酯20克，而水中的溶解度仅为0.01克。

用途
该产品是一种含磷受阻酚抗氧剂，具有良好的耐抽提性。特别适用于聚酯防老化，在缩聚前加入效果更佳，因其可以作为聚酯缩聚的催化剂。此外，它也可用于聚酰胺中作光稳定剂，并具备一定的抗氧化作用。与紫外线吸收剂并用时可产生协同效应，一般用量为0.3至1.0份。该产品还可作为对苯二甲酸二甲酯在贮存和运输中的稳定剂。实验表明，其毒性较低，小白鼠口服LD50值大于5000 mg/kg。

生产方法
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得到抗氧剂1222。具体步骤是将2,6-二叔丁基苯酚、甲醛和二甲胺加入到乙醇中，在氮气保护下于75至80℃及1至1.4MPa的压力条件下反应，以制得3,5-二叔丁基-4-羟基苄基二甲胺。随后在甲醇钠催化作用下与亚磷酸二乙酯进行反应，最终生成抗氧剂1222。

反应信息

• 作为反应物：
  描述：

  抗氧剂 1222 在 sodium ethanolate 、 lead dioxide 、 苯胺 作用下， 以 乙醇 、 苯 为溶剂， 反应 5.0h， 生成 4-Hydroxy-3.5-di-tert.-butyl-phenylmethan-trisphosphonsaeurehexaethylester
  参考文献：
  名称：

  Gross, Hans; Ozegowski, Sigrid; Costisella, Burkhard, Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 47, # 1+2, p. 7 - 13

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二叔丁基苯酚 在 亚磷酸三乙酯 、 paraformaldehyde 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以23.0 g (65%)的产率得到抗氧剂 1222
  参考文献：
  名称：

  Process for the preparation of hydroxybenzylphosphonates

  摘要：

  一种制备一般式I的化合物的方法，其中R.sub.1是氢或甲基，R.sub.2和R.sub.3彼此独立地是C.sub.1-C.sub.18烷基，C.sub.5-C.sub.8环烷基，苯基，C.sub.7-C.sub.9苯基烷基或卤素，R.sub.2还是氢，R.sub.7和R.sub.8彼此独立地是C.sub.1-C.sub.18烷基，苯基或C.sub.7-C.sub.18烷基苯基，包括将式II的酚与甲醛或多聚甲醛，式III NR.sub.4 R.sub.5 R.sub.6 III中的胺反应，其中R.sub.4是C.sub.1-C.sub.4烷基，R.sub.5和R.sub.6彼此独立地是氢或C.sub.1-C.sub.4烷基，以及式IV的亚磷酸酯反应，其中R.sub.7和R.sub.8具有上述含义，R.sub.9具有上述R.sub.7和R.sub.8的含义，反应温度为0℃-200℃。其中一些I式化合物是新颖的。

  公开号：

  US05157141A1

文献信息

• [EN] STERICALLY HINDERED AMINE STABILIZERS<br/>[FR] STABILISANTS D'AMINES À ENCOMBREMENT STÉRIQUE
  申请人：BASF SE

  公开号：WO2010142572A1

  公开（公告）日：2010-12-16

  The instant invention pertains to hindered amine compounds having at least two nitrogen atoms with different basicity. One part is substituted on the N-atom by alkoxy moieties and the other part is substituted on the N-atom by a hydroxy-alkyl moiety. These materials are particularly effective in stabilizing polymers, especially thermoplastic polyolefins, against the deleterious effects of oxidative, thermal and actinic radiation. The compounds are also particularly effective in stabilizing acid catalyzed and ambient cured coatings systems.

  这项瞬时发明涉及具有至少两个氮原子且碱度不同的受阻胺化合物。其中一部分在N原子上被烷氧基团取代，另一部分在N原子上被一个羟基-烷基基团取代。这些材料在稳定聚合物方面特别有效，尤其是热塑性聚烯烃，可以抵御氧化、热和光辐射的有害影响。这些化合物在稳定酸催化和环境固化的涂层系统方面也特别有效。
• METHOD FOR PRODUCING TRANS-BIS(AMINOMETHYL)CYCLOHEXANE, METHOD FOR PRODUCING BIS(ISOCYANATOMETHYL)CYCLOHEXANE, BIS(ISOCYANATOMETHYL)CYCLOHEXANE, POLYISOCYANATE COMPOSITION, AND POLYURETHANE RESIN
  申请人：MITSUI CHEMICALS, INC.

  公开号：US20160207875A1

  公开（公告）日：2016-07-21

  A method for producing trans-bis(aminomethyl)cyclohexane includes a trans-isomerization step in which cis-dicyanocyclohexane is isomerized into trans-dicyanocyclohexane by heating dicyanocyclohexane containing cis-dicyanocyclohexane in the presence of a tar component produced by distillation of dicyanocyclohexane; and an aminomethylation step in which trans-dicyanocyclohexane produced by the trans-isomerization step is allowed to contact with hydrogen to produce trans-bis(aminomethyl)cyclohexane.

  生产反式-双(氨甲基)环己烷的方法包括以下步骤：在一个反式异构化步骤中，通过加热含有顺-二氰基环己烷的二氰基环己烷，在二氰基环己烷的蒸馏产生的焦油组分的存在下，将顺-二氰基环己烷异构化为反-二氰基环己烷；以及在一个氨甲基化步骤中，通过让通过反式异构化步骤产生的反-二氰基环己烷与氢接触来产生反式-双(氨甲基)环己烷。
• Thioimidazolidine derivatives as light stabilizers for polymers
  申请人：——

  公开号：US20030109609A1

  公开（公告）日：2003-06-12

  A compound of the formula (I) wherein G 1 , G 2 , G 3 and G 4 are independently of one another C 1 -C 18 alkyl or C 5 -C 12 cycloalkyl or the radicals G 1 and G 2 and the radicals G 3 and G 4 form independently of one another, together with the carbon atom they are attached to, C 5 -C 12 cycloalkyl; R is hydrogen, C 1 -C 18 alkyl, oxyl, —OH, —CH 2 CN, C 3 -C 6 alkenyl, C 3 -C 8 alkynyl, C 7 -C 12 phenylalkyl unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy; C 1 -C 8 acyl, C 1 -C 18 alkoxy, C 1 -C 18 hydroxyalkoxy, C 2 -C 18 alkenyloxy, C 5 -C 12 cycloalkoxy, C 7 -C 12 phenylalkoxy unsubstituted or substituted on the phenyl radical by C 1 -C 4 alkyl and/or C 1 -C 4 alkoxy: C 1 -C 18 alkanoyloxy, (C 1 -C 18 alkoxy)carbonyl, glycidyl or a group —CH 2 CH(OH)(G) with G being hydrogen, methyl or phenyl; n is 1, 2, 3 or 4; and X is an organic radical of a valency equal to n; and when n is 2, 3 or 4, each of the radicals G 1 , G 2 , G 3 , G 4 and R can have the same or a different meaning in the units of the formula (II), is useful for stabilizing an organic material against degradation induced by light, heat or oxidation.

  式（I）的化合物，其中G1、G2、G3和G4彼此独立地是C1-C18烷基或C5-C12环烷基，或者基团G1和G2以及基团G3和G4彼此独立地与它们附着的碳原子一起形成C5-C12环烷基；R是氢、C1-C18烷基、氧基、—OH、—CH2CN、C3-C6烯基、C3-C8炔基、C7-C12苯基烷基，未取代或通过C1-C4烷基和/或C1-C4烷氧基取代苯基上的苯基基团；C1-C8酰基、C1-C18烷氧基、C1-C18羟基烷氧基、C2-C18烯氧基、C5-C12环烷氧基，未取代或通过C1-C4烷基和/或C1-C4烷氧基取代苯基上的C7-C12苯基氧基；C1-C18烷酰氧基、（C1-C18烷氧基）羰基、环氧乙基或一个基团—CH2CH(OH)(G)，其中G是氢、甲基或苯基；n为1、2、3或4；X是价数等于n的有机基团；当n为2、3或4时，式（II）的各单元中的G1、G2、G3、G4和R的每一个可以具有相同或不同的含义，对于抵抗光、热或氧化引起的有机材料降解具有稳定作用。
• Bisphenol Monoester compound
  申请人：Soma Ryoji

  公开号：US20090143517A1

  公开（公告）日：2009-06-04

  A bisphenol monoester compound represented by the formula (1): (in the formula (1), Rs each represent independently a hydrogen atom or a methyl group, and R′ represents an alkyl group of a carbon number of 1 to 6, or a hydrogen atom).

  由以下公式表示的双酚单酯化合物： （在公式（1）中，Rs分别独立表示氢原子或甲基基团，R′表示碳数为1至6的烷基基团，或氢原子）。
• [EN] NOVEL LIGHT STABILIZERS<br/>[FR] NOUVEAUX STABILISANTS LUMIÈRE
  申请人：BASF SE

  公开号：WO2015004580A1

  公开（公告）日：2015-01-15

  The present invention relates to symmetric diesters of hydroxyalkyl-4-hydroxy- tetraalkylpiperidine compounds and their use as light stabilizers. They are compatible with and soluble in coating formulations of different polarity.

  本发明涉及羟基烷基-4-羟基-四烷基哌啶化合物的对称二酯及其作为光稳定剂的用途。它们与不同极性的涂料配方相容且可溶。