CAFFEINE (TRIMETHYL-13C3) Chemical Properties

Melting point:

234-236.5 °C(lit.)

Flash point:

11 °C

storage temp. 

2-8°C

solubility 

DMSO (Slightly, Heated, Sonicated), Methanol (Slightly, Heated, Sonicated)

form 

Solid

color 

White to Off-White

InChI

1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3/i1+1,2+1,3+1

InChIKey

RYYVLZVUVIJVGH-VMIGTVKRSA-N

SMILES

[13CH3]N1C(=O)N([13CH3])c2ncn([13CH3])c2C1=O

EPA Substance Registry System

1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-tri(methyl-13C)- (78072-66-9)

CAS Number Unlabeled

58-08-2

Safety Information

Hazard Codes 

T,F,Xn

Risk Statements 

25-36/37/38-40-39/23/24/25-23/24/25-11-22

Safety Statements 

7-16-36/37-45-36/37/39-22

RIDADR 

UN 1544 6.1/PG 3

WGK Germany 

3

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral

MSDS

• Language:English Provider:SigmaAldrich

CAFFEINE (TRIMETHYL-13C3) Usage And Synthesis

Uses

Caffeine-13C3 is a labelled analogue of Caffeine (C080100), a bitter, white crystalline xanthine alkaloid that acts as a stimulant drug and a reversible acetylcholinesterase inhibitor. Caffeine is found in varying quantities in the seeds, leaves, and fruit of some plants, where it acts as a natural pesticide that paralyzes and kills certain insects feeding on the plants. In humans, caffeine acts as a central nervous system stimulant, temporarily warding off drowsiness and restoring alertness. Caffeine is a cardiac and respiratory stimulant; diuretic. Caffeine is toxic at sufficiently high doses.A study at Johns Hopkins University indicates that caffeine can improve pattern separation memory.

Definition

ChEBI: Caffeine-trimethyl-13C3 is an oxopurine.

CAFFEINE (TRIMETHYL-13C3)(78072-66-9)Related Product Information

• Caffeine
• 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone
• 6-aminodihydro-1,3-dimethyl-2,4(1H,3H) –pyrimidinedione
• CAFFEINE (TRIMETHYL-13C3)