Caffeine
Synonyms
1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-;
3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione;
Xanthine, 1,3,7-trimethyl;
Theophylline, 7-methyl;
Category
Non-ionic surfactant
> Amine
>> Heteroaromatic Amine
>>> Purine and its Derivatives
Chemical Numbering System
CAS: 58-08-2
EINECS: 200-362-1
Molecular Formula & Molecular Weight
Molecular Formula: C8H10N4O2
Molecular Weight: 194.19
Structure
Properties
Appearance (1), white crystal.
Solubility soluble in water.
Physical - chemical properties
|
Water solubility, g/L |
21.6 (25 °C)[1] |
Stability stable.
Risk Solid form: flammable material; irritation, irritation to skin, eye, respiratory system. Harmful products of combustion are CO, CO2, nitrogen oxides and so on. Contact with strong oxidants, can cause to burn.
GHS label: 
Animal Toxicity
Table 1 Animal toxicity values
|
rat oral LD50 |
192mg/kg[2] |
|
mouse oral LD50 |
127mg/kg[2] |
Reproductive effect (negative)[1].
Human Toxicity
Table 2 Human toxicity values
|
child oral LDLo |
320mg/kg[2] |
|
child oral TDLo |
140mg/kg[2] |
|
human oral LDLo |
192mg/kg[2] |
|
human intravenous TDLo |
7mg/kg[2] |
|
infant intravenous TDLo |
68mg/kg[2] |
|
infant oral TDLo |
14.7mg/kg[2] |
|
man oral TDLo |
13mg/kg[2] |
|
man oral TDLo |
51mg/kg[2] |
|
women oral LDLo |
400mg/kg[2] |
|
women oral LDLo |
1000mg/kg[2] |
Ecology may be hazardous to environment. Water body should be given special attention.
Biodegradability biodegradable.
Characteristics excellent emulsifying, dispersing, anticorrosive, lubricating, antistatic abilities. Stimulant of central nervous system and respiratory system; can be addictive.
Synthesis
Quality Standards & Test Methods
1, Physical and chemical indexes
|
Item |
Physical and chemical indexes |
|
Solid |
|
|
Actives, %, ≥ |
95.0 |
Test Methods
(1), Actives
GB/T 13173 Surface active agents -- Detergents -- Testing methods
2, Hazardous substances indexes
|
Item |
Hazardous substances indexes |
|
Solid |
|
|
Heavy metals (as Pb), mg/kg, ≤ |
20 |
|
As, mg/kg, ≤ |
3 |
Test Methods
(1), Heavy metals (as Pb)
Safety and Technical Standards for Cosmetics (2015 Edition)
GB/T 30799 The test method of food detergents -- Determination of heavy metals
(2), As
Safety and Technical Standards for Cosmetics (2015 Edition)
GB/T 30797 The test method of food detergents -- Determination of total arsenic
3, Product standards
(1), Chinese standards
(1a), GB 14758 Food safety national standard -- Food additive -- Caffeine
(1b), Chinese Pharmacopoeia (2020 Edition) Caffeine
4, Further explanation
(a), On physical and chemical indexes: firstly, shall be indicated carbon atom distribution; secondly, shall be indicated average molecular weight.
(b), Used in cosmetics, should be test for harmful substances or furtherly test for microorganisms, according to local regulations and standards.
Major Uses
1, Typical applications
Use as dispersing agent, emulsion stabilizer.
Use as anticorrosive agent.
Use as antistatic agent.
2, Personal care products
Conditioning agent, perfume in personal care products.
3, Food
Use as food additive.
4, Medicine
Use as pharmaceutical ingredient (central stimulant ). (This section is for reference only, should be implemented according to local Pharmacopoeia.)
Manufacturers
References
[1]: HSDB. 58-08-2, Caffeine
[2]: ChemIDplus. 58-08-2, Caffeine
Update: 20130918(1); 20200830(2);