咖啡因 Caffeine CAS号58-08-2分子式、结构式、MSDS、物化性质、用途-化学科研者一站式服务平台

化合物简介

Caffeine is a central nervous system (CNS) stimulant of the methylxanthine class. It is the world's most widely consumed psychoactive drug. Unlike many other psychoactive substances, it is legal and unregulated in nearly all parts of the world. There are several known mechanisms of action to explain the effects of caffeine. The most prominent is that it reversibly blocks the action of adenosine on its receptor and consequently prevents the onset of drowsiness induced by adenosine. Caffeine also stimulates certain portions of the autonomic nervous system.

基本信息

CAS：58-08-2
中文别名：1,3,7-三甲基黄嘌呤;无水咖啡碱;茶素;咖啡碱;茶精;
英文别名：1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-;Stim;No-Doz;trimethylxanthine;CAFFEIN;Miudol;3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;Theine;Kofein;tirend;COFFEIN;THEIN;1,3,7-trimethylxanthine;Nodaca;
分子式：C8H10N4O2
分子量：194.191
精确质量：194.08
Psa：61.82
Logp：-1.0293

编号系统

MDL号：MFCD00005758

物化性质

外观与性状：白色柔韧有弱光的针状结晶，无臭，味苦。露置干燥空气中可风化，80℃全部失水，178℃升华。Mp235-237.5C，相对密度(d184)1.23。本品溶于氯仿(1：7)、水(1：60)、乙醇(1：130)，易溶于稀酸，微溶于乙醚。水溶液对石蕊呈中性，与有机酸或其碱金属盐如苯甲酸钠、水杨酸钠、枸橼酸钠或桂皮酸钠等形成复盐，可加大水中的溶解度。中等毒，LD50(大鼠、经口) 260mg/kg。
密度：1.23
沸点：178°C
熔点：234-236.5°C(lit.)
闪点：178°C
水溶解性：20 g/L (20 ºC)
稳定性：Stable. Incompatible with strong acids, strong bases, strong oxidizing agents, iodine, silver salts, tannins. Weakly light sensitive in solution.
储存条件：2-8°C

安全信息

RTECS号：EV6475000
安全说明：S16; S36/37; S45
WGK Germany：1
危险类别码：R22; R25
海关编码：2939300010
危险品运输编码：UN 1544 6.1/PG 3
危险类别：6.1
包装等级：III
危险品标志：Xn; T