611-72-3

• 常用中文名：DL-扁桃酸
• 常用英文名：L-(+)-Mandelic Acid
• CAS号：611-72-3
• 分子式：C₈H₈O₃
• 分子量：152.147
• 发布时间：2018-04-15 08:00:00
• 更新时间：2024-01-02 22:55:54
• 【用途一】
  用作化学试剂，也用于有机合成
  【用途二】
  用作医药原料及中间体、染料中间体等

名称

• 中文名: DL-扁桃酸
• 英文名: DL-Mandelic acid
• 中文别名: Α-羟基苯乙酸; 杏仁酸
• 英文别名: MFCD00064250; (+)-MANDELIC ACID; S-mandelic acid; (S)-Mandelate; (2S)-Hydroxy(phenyl)acetic acid; Mandelic acid; (+)-(S)-MANDELIC ACID; L-MANDELIC ACID; (S)-(+)-Mandelic acid; Benzeneacetic acid, α-hydroxy-, (S)-; (S)-mandelic acid; 2-Hydroxy-2-phenylacetic acid; S-(+)-Mandelic acid; EINECS 202-007-6; Benzeneacetic acid, α-hydroxy-, (αS)-; (2S)-hydroxy(phenyl)ethanoic acid; (+)-L-MANDELIC ACID

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 321.8±22.0 °C at 760 mmHg
• 熔点: 120-122ºC
• 分子式: C₈H₈O₃
• 分子量: 152.147
• 闪点: 162.6±18.8 °C
• 精确质量: 152.047348
• PSA: 57.53000
• LogP: 0.92
• 外观性状: 白色晶体或晶体粉末
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.591
• 储存条件:

  贮存：

  将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

• 稳定性:

  性质与稳定性：

  常温常压下，或不分解产物。

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：38.90

  2、 摩尔体积（m³/mol）：115.1

  3、 等张比容（90.2K）：321.0

  4、 表面张力（dyne/cm）：64.0

  5、 极化率（10 ^-24cm ³）：15.42

• 计算化学:

  四、计算化学数据：

  1、 疏水参数计算参考值（XlogP）：0.6

  2、 氢键供体数量：2

  3、 氢键受体数量：3

  4、 可旋转化学键数量：2

  5、 拓扑分子极性表面积（TPSA）：57.5

  6、 重原子数量：11

  7、 表面电荷：0

  8、 复杂度：138

  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：1

  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

• 更多:

  一、物性数据

  1. 熔点：120-122℃，

MSDS

Name: Dl-mandelic acid 98+% Material Safety Data Sheet Synonym: alpha-Hydroxyphenylacetic aci CAS: 611-72-3 Section 1 - Chemical Product MSDS Name:Dl-mandelic acid 98+% Material Safety Data Sheet Synonym:alpha-Hydroxyphenylacetic aci Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 611-72-3 Dl-mandelic acid 98.0 210-277-1 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW The toxicological properties of this material have not been fully investigated.Light sensitive. Potential Health Effects Eye: No information regarding eye irritation and other potential effects was found. Skin: No information regarding skin irritation and other potential effects was found. Continued absorption may cause kidney irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: The toxicological properties of this substance have not been fully investigated. Inhalation of dust may cause respiratory tract irritation. 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 immediately. Skin: Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: If victim is conscious and alert, give 2-4 cupfuls of milk or water. Never give anything by mouth to an unconscious person. Get medical aid immediately. Inhalation: Remove from exposure 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. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical 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. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Do not store in direct sunlight. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. 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: Follow the OSHA respirator regulations found in 29CFR 1910.134 or European Standard EN 149. Always use a NIOSH or European Standard EN 149 approved respirator when necessary. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Appearance: white Odor: A faint odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 117 - 119 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Soluble. Specific Gravity/Density: Molecular Formula: C8H8O3 Molecular Weight: 152.15 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stability unknown. Darkens and decomposes on exposure to light. Conditions to Avoid: Incompatible materials, light. Incompatibilities with Other Materials: Strong oxidizing agents Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 611-72-3 unlisted. LD50/LC50: Not available. Carcinogenicity: Dl-mandelic acid - Not listed by ACGIH, IARC, NIOSH, NTP, or OSHA. See actual entry in RTECS for complete information. 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 Shipping Name: Not regulated. Dangerous Goods Code: UN Number: 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# 611-72-3: No information available. United Kingdom Occupational Exposure Limits Canada CAS# 611-72-3 is listed on Canada's DSL List. CAS# 611-72-3 is not listed on Canada's Ingredient Disclosure List. Exposure Limits US FEDERAL TSCA CAS# 611-72-3 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xn:Harmful;
• 风险声明 (欧洲): R21/22
• 安全声明 (欧洲): S24/25
• WGK德国: 3
• RTECS号: OO6300000
• 海关编码: 2918199090

海关

海关编码	2918199090
中文概述	HS: 2918199090. 其他含醇基但不含其他含氧基羧酸（包括其酸酐、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:9.0%. 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	2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%