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Key Documents

W222455

Sigma-Aldrich

Caffeine

anhydrous, natural, 99%, FCC, FG

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

Empirical Formula (Hill Notation):
C8H10N4O2
CAS Number:
Molecular Weight:
194.19
FEMA Number:
2224
Beilstein:
17705
MDL number:
UNSPSC Code:
12352210
Flavis number:
16.016
NACRES:
NA.21

grade

FG
Halal
Kosher
anhydrous
natural

Quality Level

reg. compliance

EU Regulation 1333/2008 & 178/2002
FCC
FDA 21 CFR 117

Assay

99%

mp

234-236.5 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

odorless

SMILES string

CN1C(=O)N(C)c2ncn(C)c2C1=O

InChI

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

InChI key

RYYVLZVUVIJVGH-UHFFFAOYSA-N

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Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 1


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