愈创木酚基甘油-Β-愈创木基丙醚

愈创木酚基甘油-Β-愈创木基丙醚 基本信息
CAS号 7382-59-4 分子式 C17H20O6
分子量 320.33700 精确质量  320.12600
PSA  88.38000 LogP  1.88270

等价的CAS号:

7382-59-4,7572-88-5,7595-27-9,62182-21-2,143563-69-3,143614-36-2

基本信息 展开↓

CAS号:
7382-59-4
3D弹球模型:
立即前往扯扯看
分子式:
C17H20O6
分子量:
320.33700
中文名称:
愈创木酚基甘油-Β-愈创木基丙醚
英文名称:
Guaiacylglycerol-β-guaiacyl Ether
中文别名:
愈创木酚基甘油-Β-愈创木基丙醚;
愈创木基甘油-β-愈创木基醚;
愈创木酚基甘油-Beta-愈创木基醚
英文别名:
Guaiacylglycerol-β-guaiacyl Ether;
1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
精确分子量/精确质量:
320.12600
极性分子表面积/PSA:
88.38000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
InChI=1/C17H20O6/c1-21-13-5-3-4-6-14(13)23-16(10-18)17(20)11-7-8-12(19)15(9-11)22-2/h3-9,16-20H,10H2,1-2H3

物化性质展开↓

密度:
1.282g/cm3
熔点:
100ºC
沸点:
553.5ºC at 760 mmHg
闪点:
288.6ºC
折射率:
1.595
存储条件/存储方法:

密封于阴凉干燥环境。

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4): 无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):100

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa): 无可用

7.       折射率: 无可用

8.       闪点(ºC): 无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V): 无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2909500000

合成路线查看所有的合成路线

  • 22317-34-6

    3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one

  • ~78%

  • 7382-59-4

    愈创木酚基甘油-Β-愈创木基丙醚

  • 20730-75-0

    20730-75-0

  • 7382-59-4

    愈创木酚基甘油-Β-愈创木基丙醚

  • 36382-86-2

    4-(3-hydroxy-2-(2-methoxyphenoxy)propylidene)-2-methoxycyclohexa-2,5-dienone

  • 7382-59-4

    愈创木酚基甘油-Β-愈创木基丙醚

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Guaiacylglycerol-beta-guaiacyl Ether
    Portland OR
    Synonym        1-(4-Hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-1,3-propanediol    
    Chemical Formula        C17H20O6    
    7382-59-4
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Guaiacylglycerol-beta-guaiacyl Ether        7382-59-4 Min. 97.0 (GC) Not available.        Not available.    

Section III. Hazards Identification
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Health Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    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: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum of 15    
    minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and supportively.
    Skin Contact        If the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,    
    protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's exposed
    skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive soap. Be
    particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek medical
    attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    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    
    Not available.
    Combustible.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    These products are toxic carbon oxides (CO, CO2).
    Combustion Products
    Fire Hazards        No specific information is available regarding the flammability of this compound in the presence of various materials.    
    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.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media        SMALL FIRE: Use DRY chemicals, CO2, water spray or foam.    
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Guaiacylglycerol-beta-guaiacyl Ether

Section VI.        Accidental Release Measures    
    Spill Cleanup        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a    
    shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any contaminated
    Instructions
    surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container and    
    store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust. In case of insufficient ventilation, wear
    Information
    suitable respiratory equipment. If you feel unwell, seek medical attention and show the label when possible. Treat
    symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended    
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust 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        Not available.    

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Powder.        Solubility        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        320.34        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Not available.    
    Vapor Pressure
    Melting Point        100°C (212°F)        Vapor Density        Not available.    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Critical Temperature        Not available.        Odor        Not available.    
    Not available.        Not available.    
    Viscosity        Taste    

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 oxidizing agents.    

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Eye contact. Inhalation. Ingestion.
    Routes of Exposure
    Not available.
    Toxicity Data
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    No specific information is available in our data base regarding the toxic effects of this material for humans. However,
    Acute Toxic Effects
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
    compound.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Guaiacylglycerol-beta-guaiacyl Ether

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Not available.
    Environmental Fate

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or 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 this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    PIN Number
    Proper Shipping Name        Not applicable.    
    Not applicable.
    Packing Group (PG)
    DOT Pictograms

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.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC)        Not available.    
    EEC Risk Statements        Not available.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2909500000

概述:
2909500000. 醚酚、醚醇酚及其卤化、磺化、硝化或亚硝化衍生物. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2909500000 ether-phenols, ether-alcohol-phenols and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1   摩尔折射率:84.95

2   摩尔体积m3/mol249.7

3   等张比容(90.2K):673.5

4   表面张力dyne/cm52.9

5   极化率10-24cm333.67

计算化学数据


1、   疏水参数计算参考值(XlogP):1.5

2、   氢键供体数量:3

3、   氢键受体数量:6

4、   可旋转化学键数量:7

5、   拓扑分子极性表面积(TPSA):88.4

6、   重原子数量:23

7、   表面电荷:0

8、   复杂度:339

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:2

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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