2394-20-9 (4-羟基-3-甲氧基-DL-扁桃酸,VMA)

CAS号:
2394-20-9
中文名称:
4-羟基-3-甲氧基-DL-扁桃酸
英文名称:
VMA
分子式:
C9H10O5
分子量:
198.172703266144

4-羟基-3-甲氧基-DL-扁桃酸(2394-20-9)名称与标识符

名称

中文别名:
4-羟基-3-甲氧基-DL-扁桃酸;4-羟基-3-甲氧基扁桃酸;4-羟基-3-甲氧基苦杏仁酸;DL-4-羟基-3-甲氧基扁桃酸;3-甲氧基-4-羟基扁桃酸;
英文别名:
VMA;4-Hydroxy-3-methoxymandelic acid;DL-4-Hydroxy-3-methoxymandelic acid;DL-Vanillomandelic acid;DL-3-Methoxy-4-hydroxymandelic acid DL-4-Hydroxy-3-methoxy mandelic acid;4-Hydroxy-3-methoxy-DL-mandelic acid;HYDROXY-3-METHOXYMANDELIC ACID, D,L-4-(RG);NCGC00093978-01;3-Methoxy-4-hydroxyphenylhydroxyacetic acid;NCGC00093978-02;SCHEMBL134326;SMR001230822;EINECS 200-224-0;2-(4'-Hydroxy-3'-methoxyphenyl) 2-hydroxyethanoic acid;3-methoxy-4-hydroxymandelic acid;H-6500;GTPL6645;A817001;(+/-)-Vanillylmandelic acid;EN300-1868166;DL-vanillylmandelic acid;AKOS015851906;Lopac0_000602;DTXSID10861583;CS-0059631;DCD57880-FBEE-4ED4-A834-92387D266E8A;2-(4-Hydroxy-3-methoxyphenyl)-2-hydroxyacetic acid;( inverted question mark)-4-Hydroxy-3-methoxymandelic acid;Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (A+/-)-;C05584;Q901369;55-10-7;DL-4-HYDROXY-3-METHOXYMANDELIC-2-D1 ACID;Vanillinmandelic Acid;DL-4-HYDROXY-3-METHOXYMANDELIC ACID (DL-VANILLYLMANDELIC ACID);2394-20-9;HMS3261J06;CCG-204691;BCP33203;HMS3371D20;NCGC00015492-02;EU-0100602;( inverted question mark)-Vanillylmandelic acid;(.+/-.)-Vanilmandelic acid;SR-01000075241-1;MLS002153465;Benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy-;Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid #;Vanillomandelic acid;(4-Hydroxy-3-methoxyphenyl)glycolic acid;FEMA NO. 4660;SDCCGSBI-0050584.P002;NCGC00015492-07;4-hydroxy-3-methoxyphenylglycolic acid;(?)-Vanillylmandelic acid;Mandelic acid, 4-hydroxy-3-methoxy-;dl-.alpha.,4-Dihydroxy-3-methoxyphenylacetic acid;UNII-0DQI268449;DL-4-Hydroxy-3-methoxymandelic acid, >=98% (TLC), powder;Tox21_500602;NS00015078;SCHEMBL10085823;4-Hydroxy-3-methoxy-DL-mandelic acid;2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetic acid;H0268;NCGC00015492-03;dl-3-Methoxy-4-hydroxymandelic acid;HY-113121;AS-62192;CHEMBL1256396;0DQI268449;VANILMANDELIC ACID [MI];2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid;Benzeneacetic acid, alpha,4-dihydroxy-3-methoxy-;(+/-)-VANILMANDELIC ACID;4'-Hydroxy-3'-methoxymandelic acid;(+/-)-3-METHOXY-4-HYDROXYMANDELIC ACID;Oprea1_553862;H 0131;NCGC00093978-03;53587-34-1;D90829;Vanillylmandelic acid;Hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid;NCGC00261287-01;S6613;SR-01000075241;FT-0634243;FT-0669753;Vanillomandelc acid;NCGC00015492-05;3-Methoxy-4-hydroxymandelate;Vanilmandelic acid;(y)-Vanillylmandelic acid;DL-4-Hydroxy-3-methoxymandelic acid, analytical standard;CHEBI:20106;NCGC00015492-04;MFCD00004235;LP00602;FT-0669752;HMS2235H06;STL558222;Vanillylmandelic acid; VMA;DB-349286;Benzeneacetic acid, a,4-dihydroxy-3-methoxy-, (+/-)-;DB-071947;DL-4-Hydroxy-3-methoxymandelicacid;

标识符

InChIKey:
CGQCWMIAEPEHNQ-UHFFFAOYSA-N
Inchi:
1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
SMILES:
O(C)C1=C(C=CC(=C1)C(C(=O)O)O)O

4-羟基-3-甲氧基-DL-扁桃酸(2394-20-9)物化性质

实验特性

  • LogP : 0.51880
  • PSA : 86.99000
  • 折射率 : 1.4717 (estimate)
  • 沸点 : 295.48°C (rough estimate)
  • 熔点 : 132-134 ºC
  • 闪点 : 173.7°C
  • 溶解度 : H2O: ~50 mg/mL
  • 颜色与性状 : 白色或类白色粉末
  • 溶解性 : 可溶解的
  • 密度 : 1.3180 (rough estimate)

计算特性

  • 精确分子量 : 198.05300
  • 氢键供体数量 : 3
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 3
  • 同位素质量 : 198.052823
  • 重原子数量 : 14
  • 复杂度 : 205
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 1
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : -0.2
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 87

4-羟基-3-甲氧基-DL-扁桃酸(2394-20-9)安全信息

4-羟基-3-甲氧基-DL-扁桃酸(2394-20-9)海关数据

海关编码:
2918990090
海关数据:

中国海关编码:

2918990090

概述:

2918990090. 其他含其他附加含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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4-羟基-3-甲氧基-DL-扁桃酸(2394-20-9)相关文献

4-羟基-3-甲氧基-DL-扁桃酸(2394-20-9) MSDS

基础信息


Section 1. Chemical Product and Company Identification
    DL-3-Methoxy-4-hydroxymandelic Acid
    Common Name/
    Trade Name
    DL-3-Methoxy-4-hydroxymandelic Acid

Section 4. 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. Cold water may be used. Get medical attention if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Cold water may be used.
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    These products are carbon oxides (CO, CO2).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances        Non-flammable in presence of shocks.    
    Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
    of Various Substances        Non-explosive in presence of shocks.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        As with most organic solids, fire is possible at elevated temperatures    
    Fire Hazards
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presences of an ignition source is a potential dust
    Hazards        explosion hazard.    

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water
    on the contaminated surface and allow to evacuate through the sanitary system.
    DL-3-Methoxy-4-hydroxymandelic Acid

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    breathe dust. Keep away from incompatibles such as oxidizing agents.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 8°C (46.4°F).    
    Refrigerate. Store at temperatures between 2 and 8 deg. C.

Section 8. 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
    Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        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 9. Physical and Chemical Properties
    Physical state and appearance Solid.        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        198.18 g/mole    
    Color        grey.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Not available.    
    Melting Point        132°C (269.6°F) - 134 C    
    Critical Temperature        Not available.    
    Not available.
    Specific Gravity
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Not available.
    Water/Oil Dist. Coeff.
    Ionicity (in Water)        Not available.    
    See solubility in water.
    Dispersion Properties
    Solubility        Easily soluble in cold water, hot water.    

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Not available.
    Instability Temperature
    Conditions of Instability        Excessive heat, incompatible materials, dust generation    
    Incompatibility with various        Reactive with oxidizing agents.    
    substances
    Corrosivity        Not available.    
    DL-3-Methoxy-4-hydroxymandelic Acid
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on
    Not available.
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation.
    Ingestion: May cause digestive tract irritation.
    The toxicological properties of this substance have not been fully investigated.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Not applicable.
    Special Provisions for
    Transport
    DL-3-Methoxy-4-hydroxymandelic Acid
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        Not available.    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according        S24/25- Avoid contact with skin and eyes.    
    to the EU regulations.        S28- After contact with skin, wash immediately    
    with plenty of [***]
    S36/37- Wear suitable protective clothing and
    gloves.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    DL-3-Methoxy-4-hydroxymandelic Acid
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A