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| 中文名 | 4-羟基扁桃酸 |
|---|---|
| 英文名 | 4-hydroxymandelic acid |
| 中文别名 | 对羟基扁桃酸 |
| 英文别名 |
EINECS 214-839-7
4-Hydroxyphenylglycolic Acid P-Hydroxy Mandelic Acid 2-Hydroxy-2-(4-hydroxyphenyl)acetic acid MFCD00004234 |
| 描述 | p-Hydroxymandelic acid 是一种有价值的芳香类化学品,广泛用于生产药物和食品添加剂。 |
|---|---|
| 相关类别 | |
| 靶点 |
Human Endogenous Metabolite |
| 体外研究 | 对羟基扁桃酸(4-羟基扁桃酸; 4-HMA)广泛用于芳香药物和香料的生产。它被用于制备4-羟基苯乙酸,它是选择性β1-受体拮抗剂药物阿替洛尔的合成前体。对羟基扁桃酸可以结合细胞毒性药物和酶底物,这种基于对羟基扁桃酸的衔接子系统在靶向药物递送系统中显示出有希望的应用[1]。 |
| 参考文献 |
| 密度 | 1.48 g/cm3 |
|---|---|
| 沸点 | 405.4ºC at 760 mmHg |
| 熔点 | 82-85 °C(lit.) |
| 分子式 | C8H8O4 |
| 分子量 | 168.14700 |
| 闪点 | 213.1ºC |
| 精确质量 | 168.04200 |
| PSA | 77.76000 |
| LogP | 0.51020 |
| 外观性状 | 淡黄色水合物固体 |
| 储存条件 | -20°C |
| 分子结构 | 1、 摩尔折射率：40.78 2、 摩尔体积（cm3/mol）：113.5 3、 等张比容（90.2K）：336.0 4、 表面张力（dyne/cm）：76.7 5、 极化率（10-24cm3）：16.16 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:3 3.氢键受体数量:4 4.可旋转化学键数量:2 5.互变异构体数量:2 6.拓扑分子极性表面积77.8 7.重原子数量:12 8.表面电荷:0 9.复杂度:160 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：淡黄色水合物固体 2.熔点（ºC）：82-85 |
Synonym:alpha,4-Dihydroxybenzeneacetic acid; DL-4-Hydroxymandelic acid; DL-p-Hydroxymandelic acid; p-Hydroxyphenylglycolic acid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW
Not available. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or appropriate foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid breathing dust. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 1198-84-1: CAS# 7198-10-9: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystalline powder Color: off-white Odor: none reported pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 103-106 deg C Autoignition Temperature: Not applicable. Flash Point: Not applicable. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: C8H8O4 Molecular Weight: 168.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Darkens and decomposes on exposure to light. Conditions to Avoid: Dust generation, excess heat, excess light. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1198-84-1 unlisted. CAS# 7198-10-9 unlisted. LD50/LC50: Not available. Not available. Carcinogenicity: 4-Hydroxyphenylglycolic acid - Not listed by ACGIH, IARC, or NTP. Deleted Registry Number - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 1198-84-1: No information available. CAS# 7198-10-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1198-84-1 is not listed on Canada's Ingredient Disclosure List. CAS# 7198-10-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1198-84-1 is not listed on the TSCA inventory. It is for research and development use only. CAS# 7198-10-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A |
| 危害码 (欧洲) | Xi: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| WGK德国 | 3 |
| 海关编码 | 2918290000 |
| 上游产品 10 | |
|---|---|
| 下游产品 9 | |
| 海关编码 | 2918290000 |
|---|---|
| 中文概述 | 2918290000 其他含酚基但不含其他含氧基羧酸及其酸酐、酰卤化物、过氧化物和过氧酸及它们的衍生物。监管条件:AB(入境货物通关单,出境货物通关单)。增值税率:17.0%。退税率:9.0%。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 |
| 监管条件 | A.入境货物通关单 B.出境货物通关单 |
| 检验检疫 | R.进口食品卫生监督检验 S.出口食品卫生监督检验 |
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
