4-methylimidazole

CAS No. 822-36-6

Formula: C4H6N2
Basic Info

4-Methylimidazole (4-MeI or 4-MEI) is a heterocyclic organic chemical compound with molecular formula H 3C–C 3H 3N 2 or C 4H 6N 2. It is formally derived from imidazole through replacement of the hydrogen in position 4 by a methyl group. It is a slightly yellowish solid.
4-MeI may be formed in the browning of certain foods through the Maillard reaction between carbohydrates and amino-containing compounds. In particular, it is found in roasted foods, grilled meats, coffee and in types of caramel coloring produced with ammonia-based processes. It may arise also by fermentation.

Formula
C4H6N2
Molecular Weight
82.1038
Exact Mass
82.0531
LogP
0.7181
PSA
28.68
Synonyms

2-Methylimidazole-4-sulfonic acid

4-Methylimidazole

1H-Imidazole, 4-methyl-

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Properties
Appearance & Physical State
Slightly yellow solid.
Density
1.02
Boiling Point
263ºC
Melting Point
46-48ºC
Flash Point
157ºC
Refractive Index
1.5037 (14ºC)
Storage Condition
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Info
RTECS
NI7350000
Safety Statements
S25-S36/37/39-S45
WGK Germany
2
Risk Statements
R22; R34
HS Code
2933290090
RIDADR
UN 3263 8/PG 3
Hazard Class
8
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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Synthesis Route
1.Synthesis Route
2.Synthesis Route
3.Synthesis Route
Toxicity
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
751 mg/kg
Toxic Effects
Behavioral--tremor<br>Behavioral--convulsions or effect on seizure threshold<br>Gastrointestinal--other changes
Reference
Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 89,175,1987
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - mouse
Dose/Duration
370 mg/kg
Toxic Effects
Behavioral--convulsions or effect on seizure threshold
Reference
Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,301,1969
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Intraperitoneal
Species Observed
Rodent - mouse
Dose/Duration
165 mg/kg
Toxic Effects
Behavioral--convulsions or effect on seizure threshold
Reference
Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 14,301,1969

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