4-羟基-3-甲氧基-DL-扁桃酸

4-羟基-3-甲氧基-DL-扁桃酸 基本信息
CAS号 2394-20-9 分子式 C9H10O5
分子量 198.17300 精确质量 　198.05300
PSA 　86.99000 LogP 　0.51880
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目录
基本信息 物化性质 安全信息 化学图谱 毒性 MSDS 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
2394-20-9
分子式：
C9H10O5
分子量：
198.17300
中文名称：
4-羟基-3-甲氧基-DL-扁桃酸
英文名称：
DL-4-HYDROXY-3-METHOXYMANDELIC ACID
中文别名：
4-羟基-3-甲氧基-DL-扁桃酸;
3-甲氧基-4-羟基扁桃酸
英文别名：
DL-4-HYDROXY-3-METHOXYMANDELIC ACID;
DL-4-Hydroxy-3-MethoxyMandelic Acid
精确分子量/精确质量：
198.05300
极性分子表面积/PSA：
86.99000
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。
EINECS：
200-224-0

物化性质展开↓

密度：
1.44g/cm3
熔点：
131-134ºC
沸点：
421.3ºC at 760 mmHg
闪点：
173.7ºC
折射率：
1.606
蒸汽压：
7.5E-08mmHg at 25°C
存储条件/存储方法：

储存温度2-8°。

保持容器密封，放入紧密的出藏器内，储存在阴凉，干燥的地方

稳定性相关：

避免氧化物接触

其它信息：

1.      性状：白色或类白色粉末

2.      密度（g/L,20ºC）：未确定

3.      相对蒸汽密度（g/mL,空气=1）：未确定

4.      熔点（ºC）：133-134

5.      沸点（ºC,常压）：未确定

6.      沸点（ºC 2mmHg）：未确定

7.      折射率（nD20）：未确定

8.      闪点（ºF）：未确定

9.      比旋光度（,）：未确定

10.   自燃点或引燃温度（ºC）：未确定

11.   蒸气压（Pa,50ºC）：未确定

12.   饱和蒸气压（kPa,20ºC）：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：可溶解的

安全信息展开↓

海关代码：
2918990090
危险类别码：
36/37/38
安全说明：
S24/25
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。
危险标志：
Xi

化学图谱

  1. DL-4-羟基-3-甲氧基扁桃酸红外图谱(IR1)

  2. DL-4-羟基-3-甲氧基扁桃酸红外图谱(IR2)

  3. DL-4-羟基-3-甲氧基扁桃酸质谱(MS)

  4. DL-4-羟基-3-甲氧基扁桃酸核磁图(13CNMR)

  5. DL-4-羟基-3-甲氧基扁桃酸核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

生态数据：

对水是稍微有害的，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

MSDS 展开↓

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

海关数据查看详细

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
摘要/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%

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：47.46

2、   摩尔体积（m3/mol）：137.5

3、   等张比容（90.2K）：392.7

4、   表面张力（dyne/cm）：66.4

5、   极化率（10-24cm3）：18.81

计算化学数据

1、   疏水参数计算参考值（XlogP）：-0.2

2、   氢键供体数量：3

3、   氢键受体数量：5

4、   可旋转化学键数量：3

5、   互变异构体数量：3

6、   拓扑分子极性表面积（TPSA）：87

7、   重原子数量：14

8、   表面电荷：0

9、   复杂度：205

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：1

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

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