結構式
CAS: 139-85-5
分子式: C7H6O3
分子量: 138.12
中文名稱: 3,4-二羥基苯甲醛
原兒茶醛
英文名稱: protocatechualdehyde
3,4-dihydroxybenzaldehyde
3,4-dihydroxybenzenecarbonal
性質描述: 淡米色針狀結晶（水或甲苯）或灰白色粉末，雙晶形。熔點（m.p.）153℃～154℃。K=2.8×10-8(25℃)。易溶于乙醇、丙酮、醋酸乙酯、乙醚和熱水，溶于冷水，不溶于苯和氯仿。在水中的溶解度(g/100m1)：5(20℃)；33(99℃)；在乙醇中的溶解度：79(78℃)。有引濕性，在水中易氧化變色。
質量指標
外觀 淺灰色結晶性粉末
含量 ≥99%
熔點 153-156℃
水分 <0.5%
色譜條件：流動相：甲醇－1％冰醋酸(10：90)；流速：1．0mL／min；檢測波長：279nm （僅供參考）
用途: 一種重要的醫藥中間體，用于合成多種抗菌素和消炎藥物。
原兒茶醛是四季青葉中抗心絞痛的主要有效成分之一，對心血管系統可增加冠脈流量、降低心肌興奮性和傳導性，對急性心肌缺血缺氧所致的心肌損傷具有明顯保護作用。早年在治療燙傷的中草藥四季青中提取抗心絞痛的有效成分原兒茶醛，并采用人工合成方法制成治療冠心病的藥物—心電安（原兒茶醛片），一直應用于臨床。后又證實丹參中原兒茶醛是起活血化瘀的有效成分之一。
保質期：兩年。
其它信息：
Product Identification
【Product Name】Protocatechualdehyde 3,4-二羥基苯甲醛 原兒茶醛
【Synonyms】3,4-Dihydroxybenzaldehyde
【CAS】139-85-5
【Formula】C7H6O3
【Molecular Weight】138.12
【EINECS】205-377-7
【RTECS】UL0380000
【RTECS Class】Other
【Merck】12,8079
【Beilstein/Gmelin】774381
【Beilstein Reference】4-08-00-01762
【EC Class】irritant
Physical and Chemical Properties
【Appearance】Beige to brown.
【Solubility in water】Slightly soluble
【Melting Point】150 - 155
【Boiling Point】295
【Vapor Pressure】0.001 (25 C)
【Density】1.505 g/cm3
【pKa/pKb】7.59 (pKa)
【Partition Coefficient】1.09
【Heat Of Vaporization】55.7 kJ/mol
【Heat Of Combustion】-3100 kJ/mol
First Aid Measures
【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.
【Inhalation】Remove from exposure to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
【Skin】Get medical aid. Flush skin with plenty of soap and water for at least 15 minutes while removing contaminated clothing and shoes.
【Eyes】Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Handling and Storage
【Storage】Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
【Handling】Wash thoroughly after handling. Use only in a well ventilated area. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Hazards Identification
【Ingestion】May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
【Inhalation】May cause respiratory tract irritation.
【Skin】May cause skin irritation.
【Eyes】May cause eye irritation.
【EC Risk Phrase】R 36/37/38
【EC Safety Phrase】S 26 36
Exposure Controls/Personal Protection
【Personal Protection】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.
Fire Fighting Measures
【Flash Point】147
【Fire Fighting】Wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. To extinguish fire, use water fog, dry chemical, carbon dioxide, or regular foam.
Accidental Release Measures
【Small spills/leaks】Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal.
Stability and Reactivity
【Disposal Code】3
【Stability】Stable under normal temperatures and pressures.
【Incompatibilities】Strong oxidizing agents, strong bases.
【Decomposition】Carbon monoxide, carbon dioxide.
Transport Information
【HS Code】2912 49 00
