2394-20-9

• 常用中文名：4-羟基-3-甲氧基-DL-扁桃酸
• 常用英文名：dl-4-hydroxy-3-methoxymandelic acid
• CAS号：2394-20-9
• 分子式：C₉H₁₀O₅
• 分子量：198.17300
• 相关类别： 化学试剂 有机试剂 芳香酸
• 发布时间：2018-12-18 17:49:41
• 更新时间：2024-01-02 18:03:26

名称

• 中文名: 4-羟基-3-甲氧基-DL-扁桃酸
• 英文名: dl-4-hydroxy-3-methoxymandelic acid
• 中文别名: 3-甲氧基-4-羟基扁桃酸
• 英文别名: DL-4-Hydroxy-3-MethoxyMandelic Acid; EINECS 200-224-0; MFCD00004235

物化性质

• 密度: 1.44g/cm3
• 沸点: 421.3ºC at 760 mmHg
• 熔点: 131-134ºC
• 分子式: C₉H₁₀O₅
• 分子量: 198.17300
• 闪点: 173.7ºC
• 精确质量: 198.05300
• PSA: 86.99000
• LogP: 0.51880
• 外观性状: powder | white to off-white
• 蒸汽压: 7.5E-08mmHg at 25°C
• 折射率: 1.606
• 储存条件:

  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:

  避免氧化物接触

• 水溶解性: H2O: ~50 mg/mL
• 分子结构:

  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 ^-24cm ³）：18.81

• 计算化学:

  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

• 更多:

  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

MSDS

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 ContactCheck 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 ContactWash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops. Cold water may be used. Serious Skin ContactNot available. InhalationIf inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical attention. Serious InhalationNot available. IngestionDo 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 IngestionNot available. Section 5. Fire and Explosion Data Flammability of the Product May be combustible at high temperature. Auto-Ignition Temperature Not available. Flash PointsNot available. Flammable LimitsNot 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 SubstancesNon-flammable in presence of shocks. Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks. of Various SubstancesNon-explosive in presence of shocks. Fire Fighting MediaSMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. Do not use water jet. Special Remarks onAs 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 Hazardsexplosion hazard. Section 6. Accidental Release Measures Small SpillUse 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 PrecautionsKeep 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. StorageKeep 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 ControlsUse 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 Spillto avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Exposure LimitsNot available. Section 9. Physical and Chemical Properties Physical state and appearance Solid.OdorNot available. TasteNot available. Molecular Weight198.18 g/mole Colorgrey. pH (1% soln/water)Not available. Boiling PointNot available. Melting Point132°C (269.6°F) - 134 C Critical TemperatureNot available. Not available. Specific Gravity Vapor PressureNot applicable. Vapor DensityNot available. VolatilityNot available. Odor ThresholdNot available. Not available. Water/Oil Dist. Coeff. Ionicity (in Water)Not available. See solubility in water. Dispersion Properties SolubilityEasily soluble in cold water, hot water. Section 10. Stability and Reactivity Data StabilityThe product is stable. Not available. Instability Temperature Conditions of InstabilityExcessive heat, incompatible materials, dust generation Incompatibility with variousReactive with oxidizing agents. substances CorrosivityNot available. DL-3-Methoxy-4-hydroxymandelic Acid Special Remarks onNot available. Reactivity Special Remarks onNot available. Corrosivity PolymerizationWill not occur. Section 11. Toxicological Information Routes of EntryInhalation. Ingestion. Toxicity to AnimalsLD50: Not available. LC50: Not available. Chronic Effects on Humans Not available. Other Toxic Effects onSlightly hazardous in case of skin contact (irritant), of ingestion, of inhalation. Humans Special Remarks onNot available. Toxicity to Animals Special Remarks on Not available. Chronic Effects on Humans Special Remarks on otherAcute Potential Health Effects: Toxic Effects on HumansSkin: 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 EcotoxicityNot available. BOD5 and CODNot available. Products of BiodegradationPossibly hazardous short term degradation products are not likely. However, long term degradation products may arise. Toxicity of the ProductsThe product itself and its products of degradation are not toxic. of Biodegradation Special Remarks on theNot available. Products of Biodegradation Section 13. Disposal Considerations Waste DisposalWaste must be disposed of in accordance with federal, state and local environmental control regulations. Section 14. Transport Information DOT ClassificationNot a DOT controlled material (United States). IdentificationNot 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 CaliforniaCalifornia 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 RegulationsNot available. WHMIS (Canada) Not controlled under WHMIS (Canada). Other Classifications DSCL (EEC)This product is not classified accordingS24/25- 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

毒性和生态

生态学数据: 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

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): 36/37/38
• 安全声明 (欧洲): S24/25
• WGK德国: 3
• 海关编码: 2918990090

海关

海关编码	2918990090
中文概述	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%