Caffeine

Description

Caffeine is identified by CAS 58-08-2, molecular formula C8H10N4O2 and molecular weight 194.08 g/mol. UNII 3G6A5W338E; ChEBI 27732; InChIKey RYYVLZVUVIJVGH-UHFFFAOYSA-N. Boiling Point: 178; Boiling Point: 178 °C (sublimes); Melting Point: 460 °F (NTP, 1992).

Identification

Computed Descriptors

Physical & Chemical Properties

Physical description & handling notes

• 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]
• Solid
• ODOURLESS WHITE CRYSTALS OR CRYSTALLINE POWDER.
• White, prismatic crystals
• Hexagonal prisms

Regulatory Status

GHS Hazard Classification

Documented Uses

• Occurs naturally in tea leaves, coffee beans, cocoa beans, mate leaves, guarana paste, and kola nuts; [Merck Index] Used in beverages, cardiac and respiratory stimulants, and diuretics; [HSDB] Also used in cosmetics; [eChemPortal: SIDSUNEP]
• Caffeine is a substance in wide use. It is predominantly used in the food sector and pharma sector (80% and 16% rspectively). A smaller part is used in cosmetics (3%) or in technical applications (1%). Furthermore caffeine is a naturally occurring substance in various plant species (e.g. 0.9 to 2.6% in green coffee beans). It is a component in coffee, tea and cocoa.
• Stimulant for central nervous and respiratory systems; cardiac and respiratory stimulant; diuretic
• For more Uses (Complete) data for CAFFEINE (7 total), please visit the HSDB record page.
• Caffeine is a central nervous system (CNS) stimulant, having the effect of temporarily warding off drowsiness and restoring alertness. For management of fatigue, orthostatic hypotension, and for the short term treatment of apnea of prematurity in infants.
• Natural products -> Stimulants -> Nervous System -> Psychoanaleptics -> Psycostimulants, agents used for ADHD and nootropics -> Xanthine derivatives

Synonyms

caffeine; 58-08-2; Guaranine; 1,3,7-Trimethylxanthine; Methyltheobromine; Theine; Thein; Cafeina; Caffein; Cafipel; Koffein; Mateina; Alert-pep; Coffeine; Anhydrous caffeine; Refresh'n

Frequently Asked Questions

What are the CAS number and molecular formula of Caffeine?

CAS 58-08-2; molecular formula C8H10N4O2; molecular weight 194.08 g/mol.

What other names is Caffeine known by?

caffeine, 58-08-2, Guaranine, 1,3,7-Trimethylxanthine, Methyltheobromine, Theine.

What is the regulatory status of Caffeine?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Caffeine classified as hazardous?

0.6% of GHS notifications report no hazard classification (13 of 2217).

What are the key physical properties of Caffeine?

Boiling Point: 178; Boiling Point: 178 °C (sublimes); Melting Point: 460 °F (NTP, 1992); Melting Point: 235-237.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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