23795-02-0

• 常用中文名：对羟基苯丙酸乙酯
• 常用英文名：Ethyl 3-(4-hydroxyphenyl)propanoate
• CAS号：23795-02-0
• 分子式：C₁₁H₁₄O₃
• 分子量：194.227
• 相关类别： 香精与香料 合成香料 芳香肉桂酸、酯及衍生物
• 发布时间：2018-02-13 08:00:00
• 更新时间：2024-01-09 06:17:48

名称

• 中文名: 3-(4-羟基苯基)丙酸乙酯
• 英文名: ethyl 3-(4-hydroxyphenyl)propanoate
• 中文别名: 对羟基苯丙酸乙酯
• 英文别名: 3-(4-hydroxyphenyl)propionic ethyl ester; 3-(4-hydroxy-phenyl)-propionic acid ethyl ester; Ethyl 3-(4-hydroxyphenyl)propanoate; MFCD00020209; ETHYL 4-HYDROXYHYDROCINNAMATE; ethyl 3-(4-hydroxy-phenyl)-propionate; Benzenepropanoic acid, 4-hydroxy-, ethyl ester; Ethyl p-hydroxyhydrocinnamate

物化性质

• 密度: 1.1±0.1 g/cm3
• 沸点: 308.2±17.0 °C at 760 mmHg
• 熔点: 40-42ºC
• 分子式: C₁₁H₁₄O₃
• 分子量: 194.227
• 闪点: 128.6±13.7 °C
• 精确质量: 194.094299
• PSA: 46.53000
• LogP: 2.05
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.527
• 储存条件: 室温，干燥
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:5

  5.互变异构体数量:2

  6.拓扑分子极性表面积:46.5

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:171

  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:0

  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

MSDS

Name: Ethyl 3-(4-hydroxyphenyl)propanoate 95+% Material Safety Data Sheet Synonym: None Known CAS: 23795-02-0 Section 1 - Chemical Product MSDS Name:Ethyl 3-(4-hydroxyphenyl)propanoate 95+% Material Safety Data Sheet Synonym:None Known Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 23795-02-0 Ethyl 3-(4-hydroxyphenyl)propanoate 95+% unlisted 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. Potential Health Effects Eye: May cause eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid. Skin: In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse. Ingestion: If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid. Inhalation: If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Treat symptomatically and supportively. 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 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. 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. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a cool, dry place. Store in a tightly closed container. 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# 23795-02-0: 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 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: cream Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 40 - 42 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: Specific Gravity/Density: Molecular Formula: C11H14O3 Molecular Weight: 194 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials, dust generation, excess heat. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 23795-02-0 unlisted. LD50/LC50: Not available. Carcinogenicity: Ethyl 3-(4-hydroxyphenyl)propanoate - 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# 23795-02-0: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 23795-02-0 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 23795-02-0 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi: Irritant;
• 安全声明 (欧洲): S24/25
• 海关编码: 2918290000

合成路线

上下游产品

上游产品  8
64-17-5 501-97-3 74649-82-4 59067-46-8
75-03-6 123-08-0 77182-73-1 115062-69-6
下游产品  9
51-67-2 61440-45-7 10210-17-0 166959-22-4
186895-45-4 23838-70-2 81147-95-7 61493-63-8
3967-57-5

海关

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%