結(jié)構式
CAS: 331-39-5
分子式: C9H8O4
分子量: 180.16
中文名稱: 咖啡酸
3,4-二羥基肉桂酸
3,4-二羥基苯丙烯酸
3-(3,4-二羥苯基)-2-丙烯酸
β-(3,4-二羥苯基)丙烯酸
英文名稱: 3,4-dihydroxy-cinnamic acid
3-(3,4-dihydroxyphenyl)-2-propenoic acid
3,4-dihydroxybenzeneacrylic acid
3,4-dihydroxycinnamic acid
性質(zhì)描述: 黃色結(jié)晶（水）。熔點194-198℃（分解），194℃ 軟化，可溶于熱水、乙醇，微溶于冷水，遇堿液變橙色，有刺激性，E型咖啡酸熔點223-225℃ （分解）。
用途: 用于有機合成。
質(zhì)量標準
1 、三氯化鐵顯色反應 符合規(guī)定
2 、應在323nm的波長處有最大吸收，在261nm咖啡酸的波長處有最小吸收。 符合規(guī)定
3 、咖啡酸的水溶液加鹽酸及亞硝酸鈉，再加氫氧化鈉呈堿性，呈紅色。 符合規(guī)定
性狀 嫩黃色結(jié)晶或結(jié)晶性粉末，無臭。
1 熔點℃ 219-224
2 氯化物≤ 0.01%
3 水分≤ 0.5%
4 重金屬≤ 0.0015%
5 灼燒殘渣 <0.2%
6 紅外含量測定 干品計，含量C9H8O4≥98.0%
其它信息：
Product Identification
【Product Name】Caffeic acid 咖啡酸
【Synonyms】
3-(3,4-Dihydroxyphenyl)-2-propenoic acid
3,4-Dihydroxybenzeneacrylic acid
3,4-Dihydroxycinnamic acid
4-(2-Carboxyethenyl)-1,2-dihydroxybenzene
4-(2'-Carboxyvinyl)-1,2-dihydroxybenzene
【CAS】331-39-5
【Formula】C9H8O4
【Molecular Weight】180.16
【EINECS】206-361-2
【RTECS】GD8950000
【RTECS Class】Tumorigen; Mutagen; Reproductive Effector; Natural Product
【Merck】13,1635
【Beilstein/Gmelin】2210883
【Beilstein Reference】2-10-00-00294
【EC Class】carcinogenic
Physical and Chemical Properties
【Appearance】Yellow prisms or plates (from chloroform or ligroin) or pale yellow granules. Alkaline solutions turn from yellow to orange.
【Solubility in water】Very soluble
【Melting Point】234 - 237
【Boiling Point】366
【pKa/pKb】4.04 (pKa)
【Partition Coefficient】1.15
【Usage】Inhibitor of poly(ethylene glycol) oxidation.
First Aid Measures
【Ingestion】If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately.
【Inhalation】Get medical aid immediately. Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
【Skin】Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
【Eyes】Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Handling and Storage
【Storage】Store in a cool, dry place. Keep container closed when not in use.
【Handling】Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Hazards Identification
【Inhalation】The toxicological properties of this substance have not been fully investigated.
【Skin】No information regarding skin irritation and other potential effects was found.
【Eyes】May cause eye irritation. No information regarding eye irritation and other potential effects was found.
【Ingestion】The toxicological properties of this substance have not been fully investigated.
【EC Risk Phrase】R 36/37/38 40
【EC Safety Phrase】S 22 26 36/37/39
Exposure Controls/Personal Protection
【Personal Protection】Eyes: Wear safety glasses and chemical goggles if splashing is possible. Skin: Wear appropriate protective gloves and clothing to prevent skin exposure. Clothing: Wear appropriate protective clothing to minimize contact with skin.
【Respirators】Wear a NIOSH/MSHA or European Standard EN 149 approved full-facepiece airline respirator in the positive pressure mode with emergency escape provisions.
【Exposure Effects】The toxological properties of this substance have not been fully investigated.
Fire Fighting Measures
【Fire Fighting】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. To extinguish fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
【Fire Potential】This material is probably combustible.
Accidental Release Measures
【Small spills/leaks】Clean up spills immediately, using the appropriate protective equipment. Sweep up, then place into a suitable container for disposal.
Stability and Reactivity
【Disposal Code】4
【Stability】Stable under normal temperatures and pressures.
【Incompatibilities】Strong oxidizing agents - strong bases.
【Decomposition】Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Transport Information
【HS Code】2918 29 90
