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Ingredients

Ingredient Dictionary

CAFFEINE

Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7.

Molecular structure

How much products actually contain

17 products state the amountmedian 0.3%

  • under 0.01% 3
  • 0.01–0.1% 4
  • 0.1–1% 2
  • 1% or more 8

Amounts are mostly stated by products named after the ingredient, so they may lean towards token amounts.

Of the products containing it, 470 list it before the 1% line and 283 after it (usually 1% or less).

Products using this ingredient

12 of 740 confirmed · likeliest to carry enough first · See all 740

Definition

Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a geroprotector, a mutagen, a central nervous system stimulant, a psychotropic drug, a diuretic, a xenobiotic, an EC 3.1.4.* (phosphoric diester hydrolase) inhibitor, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, an adenosine A2A receptor antagonist, an adjuvant, a food additive, a ryanodine receptor agonist, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a fungal metabolite, an environmental contaminant and a human blood serum metabolite. It is a purine alkaloid and a trimethylxanthine.

Source: PubChem

US FDA substance register · UNII 3G6A5W338E · registered name CAFFEINE · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Caffeine is the heterocyclic organic compound that conforms to the formula

Cosmetic roles

Gives the product a scentPERFUMINGListed as a fragrance-composition material (not a claim that it adds scent)FRAGRANCEKeeps skin in good condition (CosIng catch-all)SKIN CONDITIONING

Safety & regulatory references

Japan

  • Maximum amount per 100 g (Cosmetics not used for mucosa and to be washed away) : 2.0 g
  • Maximum amount per 100 g (Cosmetics not used for mucosa and not to be washed away) : 2.0 g
  • Maximum amount per 100 g (Cosmetics that may be used for mucosa) :

Source: MFDS (Korea) cosmetic regulatory information

Not classified under Korea’s toxic-substance GHS list · existing chemical substance

Source: Korea toxic substances GHS register (NIER)

Reviewed by CIR: Safety Assessment of Methylxanthines as Used in Cosmetics

Source: US Cosmetic Ingredient Review (CIR)

More data — names, identifiers, properties, test records, literature

Official labels & definitions

JCIA labelling name カフェイン: 本品は、次の化学式で表される複素環式化合物である。

Source: JCIA labelling names (Japan)

Names & identifiers

CAFFEINEINCI카페인Korean label name (MFDS standard)1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-SynonymカフェインJapanese labelling name
CAS No.chemical registry number
58-08-2
EC No.EU chemical inventory number
200-362-1
DTXSIDUS EPA chemical ID
DTXSID0020232
DTXCIDUS EPA compound ID
DTXCID40232
IUPAC
1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione
Molecular formula
C8H10N4O2
Molecular weight
194.194 g/mol

Measured properties

Appearance
Caffeine appears as odorless white powder or white glistening needles, usually melted together. Bitter taste. Solutions in water are neutral to litmus. Odorless. (NTP, 1992) · Odorless solid, Slightly soluble in water (1 g/ 46 mL), [Merck Index] White solid, Slightly soluble in water, [MSDSonline]
Odour
Odorless · odourless
Boiling point
352 °F at 760 mmHg (sublimes) (NTP, 1992) · 178
Melting point
460 °F (NTP, 1992) · 235-237
Solubility
10 to 50 mg/mL at 73 °F (NTP, 1992) · 2.17 g/100mL
Density
1.23 at 64 °F (NTP, 1992) - Denser than water, will sink · 1.23 at 18 °C/4 °C
pH
pH = 6.9 (1% solution) · 6.9
Dissociation constant
14 · pKa = 14.0 at 25 °C
Melting/freezing point
238 ℃
Vapour pressure
760 ㎜Hg (178℃)
Water solubility
2.17 g/100㎖
Vapour density
6.7
Relative density
1.23
n-Octanol/water partition coefficient (Kow)
-0.07
Auto-ignition temperature
925 ℃
Molecular weight
194.19

Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.

Source: PubChem · KOSHA safety data sheets (Korea)

What products actually use it for

What the 20 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.

  • Flavouring and nutrient5
  • Softener and conditioner4
  • Pharmaceutical (EPA)4
  • Biocide2
  • Deodorizer2
  • Intermediate2
  • Fragrance1

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

4 skin studies and 2 eye studies are on record.

Classed as low3

The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.

See all 6 studies
  • Not classified
    Skin Irritation · Screening
  • Studies Indicate No Significant Irritation
    skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) adopted may 12th, 1981 according to
  • Classification not possible
    Skin Sensitization · Screening
  • Not likely to be sensitizing
    skin sensitisation: in vivo (LLNA) · Screening · according to OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay) adopted 2002-04-24
  • Studies Indicate No Significant Irritation
    eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) adopted May 12th, 1981 according to
  • Not classified
    Eye Irritation · Screening

Source: US EPA CompTox dashboard

Related literature

Linked databases 23