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Central nervous system drugs

Caffeine citrate

Also known as Caffeine, Citrated, Cafcit, Citrated caffeine

CAS 69-22-7Formula C14H18N4O9Molar mass 386.32 g/molEC 614-938-9
GHS signal word: Danger. Pictograms: Corrosive, Harmful or irritant 15 suppliers listed Drug substance
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Caffeine citrate chemical structure, C14H18N4O9, CAS 69-22-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
69-22-7
Formula
C14H18N4O9
Molar mass
386.32 g/mol
EC number
614-938-9
HS code
293930
Category
Central nervous system drugs

What is Caffeine citrate?

Plain description, key identifiers and synonyms

Caffeine Citrate is commercial citrate of caffeine, though not a definite salt. It is the alkaloid caffeine, with a portion of adherent citric acid, as indicated by its pharmacopoeial name (citrated caffeine). Its general action and uses are the same as those given under caffeine. Caffeine citrate is used chiefly as a remedy for the idiopathic headache (migraine). This salt is very soluble in water, and is assimilated much more readily than pure caffeine when taken into the stomach. (NCI04)

Caffeine citrate is a crystalline material.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hydroxypropane-1,2,3-tricarboxylic acid, 1,3,7-trimethylpurine-2,6-dione
CAS number
69-22-7 CAS number cross-checkedOther or deprecated CAS: 2097117-68-3
EC number
614-938-9
Molecular formula
C14H18N4O9
UNII
U26EO4675Q
InChIKey
RCQXSQPPHJPGOF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N4O2.C6H8O7/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
SMILES (canonical and isomeric)
CN1C=NC2=C1C(=O)N(C(=O)N2C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Synonyms

  • Caffeine, Citrated
  • Cafcit
  • Citrated caffeine
  • peyona
  • 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, mixt. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione
  • Caffeina Citrata
  • Caffeine Citrate Oral Solution
  • Caffeina citrate
  • Citrated caffein
  • 2-hydroxypropane-1,2,3-tricarboxylic acid, 1,3,7-trimethylpurine-2,6-dione
  • Caffeine citrate (1:1)
  • Cafcit (TN)
  • Caffeine citrate (USP)
  • caffeine-citric acid 1/1
  • citric acid, 1,3,7-trimethylpurine-2,6-dione
  • 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione citrate
  • 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 2-hydroxypropane-1,2,3-tricarboxylic acid
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, 2-hydroxypropane-1,2,3-tricarboxylate
  • 2-Hydroxypropane-1,2,3-tricarboxylic acid--1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
386.32 g/molcalc.
Exact mass
386.1074 Dacalc.
LogP (octanol/water)
-2.28calc.
Topological polar surface area
194 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
5calc.
Heavy atoms
27calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1[nH]c(=O)c2[nH]cnc2[nH]1

O=c1[nH]c(=O)c2[nH]cnc2[nH]1

2 rings, 11 atoms, the Xanthine ring system.

1,880 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H318Causes serious eye damage.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
Precautionary statements (14)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Caffeine citrate suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 15 suppliers
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

15 suppliers in 6 countries

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Caffeine citrate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Pharmacological actions

  • Central Nervous System Stimulants

Roles

  • analgesic
  • gastrointestinal drug
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Caffeine citrate is traded under.

HS 2939.30Indicative HS code

Caffeine and its salts

World exports in 2024
$505M
−17.5% vs 2023, imports $526M
2019 to 2024
Top exporters
  1. China38.7%
  2. Germany32.5%
  3. India * partner reported8.4%
Top importers
  1. United States20.7%
  2. Germany12.7%
  3. Ireland11.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Caffeine citrate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Caffeine citrate, based on the data on this page

What is Caffeine citrate?

Caffeine Citrate is commercial citrate of caffeine, though not a definite salt. It is the alkaloid caffeine, with a portion of adherent citric acid, as indicated by its pharmacopoeial name (citrated caffeine). Its general action and uses are the same as those given under caffeine.

What is the CAS number of Caffeine citrate?

The CAS registry number of Caffeine citrate is 69-22-7. Other or deprecated CAS numbers: 2097117-68-3.

What is the molecular formula and weight of Caffeine citrate?

The molecular formula of Caffeine citrate is C14H18N4O9 and its molar mass is 386.32 g/mol.

What is Caffeine citrate used for?

Known uses and roles of Caffeine citrate include cns agents in pharmaceuticals, analgesic, gastrointestinal drug, pharmaceutical and central nervous system stimulants.

Is Caffeine citrate hazardous?

Caffeine citrate carries the GHS signal word "Danger". Main hazards: harmful if swallowed, causes serious eye damage, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Caffeine citrate?

Caffeine citrate is usually classified under HS code 293930 (Caffeine and its salts). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Caffeine citrate?

CompoundList lists 15 suppliers of Caffeine citrate in India, United States, Australia, France and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Caffeine citrate in India?

6 suppliers in India list Caffeine citrate on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Caffeine citrate?

Suppliers quote Caffeine citrate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Caffeine citrate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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