百科

咖啡因

咖啡因

CAS号：58-08-2

英文名：Caffeine

分子式

C8H10N4O2

熔点

234-236.5°C(lit.)

密度

1.23

分子量

194.191

沸点

178°C

溶解度

20 g/L (20 ºC)

信号词

危险品标志

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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

中文名称

咖啡因

英文名称

Caffeine

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

CAS号

58-08-2

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

合成路线

共找到99条合成路线 >

3,4,5,7-Tetrahydro-1,3,7-trimethyl-10-syn-phenyl-11-anti-(trans-2-phenylethenyl)-4,5-ethano-1H-purin-2,6-dion

3,4,5,7-Tetrahydro-1,3,7-trimethyl-10-syn-phenyl-11-anti-(trans-2-phenylethenyl)-4,5-ethano-1H-purin-2,6-dion

咖啡因

反,反-1,4-二苯基-1,3-丁二烯

反,反-1,4-二苯基-1,3-丁二烯

海关数据

共找到1个国家海关数据 >

国家/地区名称	海关编码	更新时间	操作
中国	2939300010	2019-03	查看

上游原料

共找到14个上游原料 >

可可碱

[5aR-(5aα,6β,9β,10α)]-5,5a,6,9-Tetrahydro-1,3,5-trimethyl-6,9-diphenylpyrido[1,2-e]purin-2,4(1H,3H)-dion

[5aR-(5aα,6β,9β,10α)]-5,5a,6,9-Tetrahydro-1,3,5-trimethyl-6,9-diphenylpyrido[1,2-e]purin-2,4(1H,3H)-dion

1-甲基黄嘌呤

1-甲基黄嘌呤

1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid amide

1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid amide

甲酸甲酯

下游产品

共找到88个下游商品 >

[5aR-(5aα,6β,9β,10α)]-5,5a,6,9-Tetrahydro-1,3,5-trimethyl-6,9-diphenylpyrido[1,2-e]purin-2,4(1H,3H)-dion

[5aR-(5aα,6β,9β,10α)]-5,5a,6,9-Tetrahydro-1,3,5-trimethyl-6,9-diphenylpyrido[1,2-e]purin-2,4(1H,3H)-dion

[2,2’]-双噻吩-5,5‘-二甲醛

[2,2’]-双噻吩-5,5‘-二甲醛

3-Hydroxy-5,7-dimethyloxazolo<5,4-d>pyrimidine-2,4,6(3H,5H,7H)-trione

3-Hydroxy-5,7-dimethyloxazolo<5,4-d>pyrimidine-2,4,6(3H,5H,7H)-trione

二苯甲醇

α,α,α-三联吡啶

α,α,α-三联吡啶

肉桂醛

上游原料

可可碱 [5aR-(5aα,6β,9β,10α)]-5,5a,6,9-Tetrahydro-1,3,5-trimethyl-6,9-diphenylpyrido[1,2-e]purin-2,4(1H,3H)-dion 1-甲基黄嘌呤 1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid amide 甲酸甲酯甲醇甲基碘溴甲烷 3,4,5,7-Tetrahydro-1,3,7-trimethyl-10-syn-phenyl-11-anti-(trans-2-phenylethenyl)-4,5-ethano-1H-purin-2,6-dion 硫酸二甲酯 3,4,5,7-Tetrahydro-1,3,7-trimethyl-11-syn-phenyl-10-anti-(trans-2-phenylethenyl)-4,5-ethano-1H-purin-2,6-dion 茶碱 3,4,5,7-Tetrahydro-1,3,7-trimethyl-10-anti,11-syn-diphenyl-4,5-ethano-1H-purin-2,6-dion 3,7-二氢-1,3-二甲基-1H-嘌呤-2,6-二酮钾盐

下游产品

[5aR-(5aα,6β,9β,10α)]-5,5a,6,9-Tetrahydro-1,3,5-trimethyl-6,9-diphenylpyrido[1,2-e]purin-2,4(1H,3H)-dion [2,2’]-双噻吩-5,5‘-二甲醛 3-Hydroxy-5,7-dimethyloxazolo<5,4-d>pyrimidine-2,4,6(3H,5H,7H)-trione 二苯甲醇 α,α,α-三联吡啶肉桂醛 4-Methyl-6-(N-methylcarbamoyl)-3,5-dioxo-2,3,4,5-tetrahydrotriazine 8-benzyl-1,3,7-trimethylpurine-2,6-dione 2,6,8-三氯-7-甲基嘌呤 1,3-二甲基-1,3-二嗪农-2,4,5,6-四酮 1,3,7-trimethyl-8-(pyridin-2-yl)-xanthine 氯化氰甲胺 N-甲基脲 1-甲基咪唑烷-2,4,5-三酮 1,1-diphenylpropane-1,2-diol 1,7-二甲基黄嘌呤苯频哪醇 1,3,7-trimethyl-8-(3-methylbutoxy)purine-2,6-dione 8-氯-3,7-二氢-1,3,7-三甲基-1H-嘌呤-2,6-二酮 5-imino-1,3-dimethylimidazolidine-2,4-dione 3,4,5,7-Tetrahydro-1,3,7-trimethyl-11-syn-phenyl-10-anti-(trans-2-phenylethenyl)-4,5-ethano-1H-purin-2,6-dion 1,3,7-trimethyl-8-propan-2-ylpurine-2,6-dione 可可碱肌氨酸 8-(1-hydroxyethyl)-1,3,7-trimethylpurine-2,6-dione 氨气 8-[2,2']Bipyridinyl-6-yl-1,3,7-trimethyl-3,7-dihydro-purine-2,6-dione 8-(1-acetoxy-ethylcaffeine) 2,2'-联吡啶 1,3-二甲基脲 4,6,8-Trimethyl-1,2,4-dioxazino<6,5-d>pyrimidine-3,5,7(4H,6H,8H)-trione 8-溴-1,3,7-三甲基嘌呤-2,6-二酮 (+/-)-3,6-dimethyl-1-oxa-3,6,8-triazaspiro[4,4]nonane-2,4,7,9-tetraone N,N'-二甲基仲班酸 1,3,7-trimethyl-8-(5-formylthiophen-2-yl)xanthine 1,3,7-三甲基尿酸 3,4,5,7-Tetrahydro-1,3,7-trimethyl-10-syn-phenyl-11-anti-(trans-2-phenylethenyl)-4,5-ethano-1H-purin-2,6-dion 1,3,7,8-四甲基黄嘌呤 8,8'-bis-(1,3,7-trimethylxanthine) 6-硫代咖啡因 8-乙氧基咖啡因 8-benzylsulfanyl-1,3,7-trimethylpurine-2,6-dione 8-Acetoxymethylcaffeine 甲酸 3-甲基黄嘌呤 8-carbomethoxy-methylcaffeine 5-氨基-3,7-二甲基黄嘌呤茶碱