甲铝双(2,6-二叔丁基-4-苯甲醚)

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

甲铝双(2,6-二叔丁基-4-苯甲醚) 基本信息

中文名称:
甲铝双(2,6-二叔丁基-4-苯甲醚) 
中文别名:
甲铝双(2,6-二叔丁基-4-苯甲醚);
双(2,6-二叔丁基-4-甲基苯氧基)甲基铝(0.4MOL/L的甲苯溶液);
双(2,6-二叔丁基-4-甲基苯氧基)甲基铝 
英文名称:
Aluminum,bis[2,6-bis(1,1-dimethylethyl)-4-methylphenolato]methyl-
英文别名:
Bis(2,6-di-Tert-Butyl-4-Methylphenoxy)Methylaluminum;
bis(2,6-ditert-butyl-4-methylphenoxy)methylaluminum 
CAS No.:
56252-55-2
分 子 式:
C31H49AlO2
分 子 量:
480.70
精确分子量:
478.33900
PSA:
18.46000
InChI:
The Key: CXNGYHAYLBTIPZ-UHFFFAOYSA-L
风险术语:
R11R34
安全术语:
S16S26S45S36/S37/S39
分子结构式:
SDS:
查看

甲铝双(2,6-二叔丁基-4-苯甲醚) 物化性质

密度:
0.94
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应

        

其它信息:

1.       性状:未确定

2.       密度(g/mL,15ºC):0.94

3.       相对蒸汽密度(g/mL,空气=1): 未确定

4.       熔点(ºC):未确定

5.       沸点(ºC):未确定

6.       沸点(ºC2mmHg):未确定

7.       折射率:未确定

8.       闪点(°C):未确定

9.       比旋光度(ºC):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:未确定

甲铝双(2,6-二叔丁基-4-苯甲醚) 安全信息

危险类别码:
11-34
安全说明:
3/7-9-16-26-36/37/39-45
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

甲铝双(2,6-二叔丁基-4-苯甲醚) 毒理性

生态数据:

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,若无政府许可,勿将材料排入周围环境。

甲铝双(2,6-二叔丁基-4-苯甲醚) MSDS


Section I.Chemical Product and Company Identification
    Chemical Name        Methylaluminum    
    Bis(2,6-di-tert-butyl-4-methylphenoxide),
    (0.4 mol/L Toluene Solution)
    Portland OR
    Synonym        Bis (2,6-di-tert-butyl-4-methylphenoxy)methylaluminum,    
    (0.4 mol/L Toluene Solution)
    C31H49AlO2
    Chemical Formula
    CAS Number        56252-55-2    
    (Toluene)
    108-88-3

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Methylaluminum Bis(2,6-di-tert-butyl-4-methylphenoxide),        56252-55-2        ca. 22%        This chemical is classified as (Toluene)    
    (0.4 mol/L Toluene Solution)        ca. 78%        a possible carcinogen. There Rat LD50 (oral) 636 mg/kg    
    (Toluene)
    is no acceptable exposure limit Rabbit LD50 (dermal) 14100 uL/kg
    108-88-3
    Rat LC50 (inhalation) 49 gm/m3/4H
    for a carcinogen.
    This compound is classified as
    a possible mutagen. There is
    no acceptable exposure limit
    for a mutagen.

Section III. Hazards Identification
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    Acute Health Effects
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or
    death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive Effects.
    (Toluene)
    Rat TCLo Inhalation 800 mg/m3/6 hours female 14-20 days of pregnancy.
    TOXIC Effects:
    Effects on Embryo or Fetus - Fetotoxicity.
    Effects on Newborn - Behavioral.
    Mouse TCLo Inhalation 400 ppm/7 hours female 7-16 days of pregnancy.
    TOXIC Effects:
    Specific Developmental Abnormalities - Musculoskeletal system.
    Effects on Newborn - Biochemical and metabolic.
    Mouse TDLo Oral 9 gm/kg female 6-15 days of pregnancy.
    TOXIC Effects:
    Effects on Embryo or Fetus - Fetal death.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.
    Continued on Next Page
    Methylaluminum Bis(2,6-di-tert-butyl-4-methylphenoxide),
    (0.4 mol/L Toluene Solution)

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing    
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the
    toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    (Toluene)
    Flammable.        Auto-Ignition    
    Flammability
    535°C (995°F)
    Flammable Limits
    Flash Points        (Toluene)    
    5°C (41°F).
    LOWER: 1.2% UPPER: 7%
    (Toluene)
    4°C (39.2°F).
    Combustion Products        These products are toxic carbon oxides (CO, CO2), metallic oxides.    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        Flammable liquid.    
    and Instructions        DO NOT use water.    
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use alcohol foam, or dry chemical powder.
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Water-reactive material. Flammable material. Toxic material. Irritating material. Air sensitive material. Moisture sensitive    
    material. Possible carcinogenic material. Mutagenic material. Neurological hazard.
    Instructions
    Keep away from heat. Mechanical exhaust required. Stop leak if without risk. Absorb with DRY earth, sand or other
    non-combustible material. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to
    reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Consult federal, state, and/or
    local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        WATER-REACTIVE. FLAMMABLE LIQUID. TOXIC. IRRITANT. AIR SENSITIVE. MOISTURE SENSITIVE. POSSIBLE    
    CARCINOGEN. POSSIBLE MUTAGEN. NEUROLOGICAL HAZARD. STORE UNDER NITROGEN. REFRIGERATE.
    Information
    Keep locked up. Keep under inert atmosphere. Keep container dry. DO NOT ingest. Do not breathe gas/fumes/
    vapor/spray. Never add water to this product. Wear suitable protective clothing. If ingested, seek medical advice
    immediately and show the container or the label. Treat symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents, metals, acids, alkalis (bases).

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        This chemical is classified as a possible carcinogen. There is no acceptable exposure limit for a carcinogen.    
    This compound is classified as a possible mutagen. There is no acceptable exposure limit for a mutagen.

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Liquid. (Light Yellow Clear.)        (Toluene)    
    Very slightly soluble in water.
    0.89 (water=1)        Miscible with alcohol, chloroform, ether,    
    Specific Gravity
    (Toluene)        acetone, glacial acetic acid, carbon    
    0.865 (water=1)        disulfide.    
    Molecular Weight        480.7        Partition Coefficient        (Toluene)    
    (Toluene)        Log Kow: 2.73    
    92.14
    Boiling Point        (Toluene)        Vapor Pressure        (Toluene)    
    110.6°C (231.1°F)        28.4 mmHg (@ 25°C)    
    Continued on Next Page
    Methylaluminum Bis(2,6-di-tert-butyl-4-methylphenoxide),
    (0.4 mol/L Toluene Solution)
    Melting Point        (Toluene)        Vapor Density        (Toluene)    
    -93°C (-135.4°F)        3.1 (Air = 1)    
    Refractive Index        (Toluene)        Volatility        Not available.    
    1.496-1.498
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        (Toluene)        Taste        Not available.    
    0.778 cP @ 0°C

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents, metals, acids, alkalis (bases), water, alkali metals, aluminum, heat.

Section XI. Toxicological Information
    (Toluene)
    RTECS Number
    XS5250000
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    (Toluene)
    Toxicity Data
    Rat LD50 (oral) 636 mg/kg
    Rabbit LD50 (dermal) 14100 uL/kg
    Rat LC50 (inhalation) 49 gm/m3/4H
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive Effects.
    (Toluene)
    Rat TCLo Inhalation 800 mg/m3/6 hours female 14-20 days of pregnancy.
    TOXIC Effects:
    Effects on Embryo or Fetus - Fetotoxicity.
    Effects on Newborn - Behavioral.
    Mouse TCLo Inhalation 400 ppm/7 hours female 7-16 days of pregnancy.
    TOXIC Effects:
    Specific Developmental Abnormalities - Musculoskeletal system.
    Effects on Newborn - Biochemical and metabolic.
    Mouse TDLo Oral 9 gm/kg female 6-15 days of pregnancy.
    TOXIC Effects:
    Effects on Embryo or Fetus - Fetal death.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    Acute Toxic Effects
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or
    death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        (Toluene)    
    Toluene is released into the atmosphere principally from the volatilization of petroleum fuels and toluene-based solvents
    and thinners and from motor vehicle exhaust. Toluene's production and use as an intermediate in the production of
    benzoic acid, benzaldehyde, benzene, explosives, dyes and many other organic compounds may also result in its release
    to the environment through various waste streams. Toluene has been detected in emissions from volcanos, forest fires
    and crude oil. If released to air, a vapor pressure of 28.4 mm Hg at 25 deg C indicates toluene will exist solely as a vapor
    in the ambient atmosphere. Vapor-phase toluene will be degraded in the atmosphere by reaction with
    photochemically-produced hydroxyl radicals; the half-life for
    this reaction in air is estimated to be 3 days. Toluene may also be degraded in the atmosphere by reaction with nitrate
    radicals and ozone molecules, but these reactions are too slow to be environmentally important. If released to soil, toluene
    is expected to have high to moderate mobility based upon Koc values in the range of 37-178. Volatilization from moist soil
    surfaces is expected to be an important fate process based upon a Henry's Law constant of 6.64X10-3 atm-cu m/mole.
    Toluene may volatilize from dry soil surfaces based upon its vapor pressure. Biodegradation is expected to occur rapidly
    in soil surfaces, with half-lives in the range of several hours to 71 days. If released into water, toluene is not expected to
    adsorb to suspended solids and sediment based upon a Koc of 166 measured in lake sediment. Biodegradation is
    expected to occur rapidly in water, with reported half-lives of 4 and 56 days in aerobic and anaerobic water, respectively.
    Volatilization from water surfaces is expected to be an important fate process based upon this compound's Henry's Law
    constant. Estimated volatilization half-lives for a model river and model lake are 1 hour and 4 days, respectively.
    Measured BCF values of 13 and 90 in fish suggest bioconcentration in aquatic organisms is low to moderate. Hydrolysis is
    not expected to be an important environmental fate process for toluene due to lack of hydrolyzable functional groups.
    Exposure to toluene may occur occupationally during its production or subsequent use, particularly as a solvent or in
    gasoline, via dermal and respiratory routes. The main route of exposure for the general population will be through
    inhalation from contaminated air and handling of gasoline as well as ingestion of contaminated drinking water and food,
    and exposure to some consumer products.
    Continued on Next Page
    Methylaluminum Bis(2,6-di-tert-butyl-4-methylphenoxide),
    (0.4 mol/L Toluene Solution)

Section XIII.        Disposal Considerations    
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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.

Section XIV. Transport Information
    DOT Classification        DOT Class 4.3: Dangerous when wet material.    
    DOT Class 3: Flammable liquid.
    PIN Number
    Proper Shipping Name        Organometallic substance, liquid, water-reactive, flammable.    
    Packing Group (PG)        II    
    DOT Pictograms
    DANGEROUS        W HEN    
    W ET
    4

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    (Toluene)
    This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.
    WHMIS Classification        CLASS B-2: Flammable liquid with a flash point lower than 37.8°C (100°F).    
    CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).
    (Canada)
    (Toluene)
    On DSL.
    EINECS Number (EEC)        (Toluene)    
    203-625-9
    EEC Risk Statements        R10- Flammable.    
    R14- Reacts violently with water.
    R18- In use, may form flammable/explosive vapor-air mixture.
    R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.
    R36/37/38- Irritating to eyes, respiratory system and skin.
    R45- May cause cancer.
    R46- May cause heritable genetic damage.
    R47- May cause birth defects.
    Japanese Regulatory Data
    (Toluene)


SECTION 16 - ADDITIONAL INFORMATION
N/A

甲铝双(2,6-二叔丁基-4-苯甲醚) 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

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:8

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:34

8.表面电荷:0

9.复杂度:540

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

甲铝双(2,6-二叔丁基-4-苯甲醚) 上游产品

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湖北诺纳科技有限公司

产品介绍:
产品名称:双(2,6-二叔丁基-4-甲基苯氧基)甲基铝(0.4MOL/L的甲苯溶液) Cas号:56252-55-2 纯度:99% 包装信息:1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶 价格:1.0元 - 25.0元
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产品介绍:
产品名称:双(2,6-二叔丁基-4-甲基苯氧基)甲基铝(0.4MOL/L的甲苯溶液) Cas号:56252-55-2 纯度:99% 包装信息:669kg,1kg铝箔袋/氟化瓶,10kg铝听/纸箱,25kg纸板桶/编织袋/塑料桶 价格:1.0元 - 669.0元
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