4-甲基咪唑

Description

4-Methylimidazole · CAS 822-36-6 · C4H6N2. UNII Q64GF9FV4I. Boiling Point: 263 °C; Boiling Point: 263 °C @760 [mm Hg]; Melting Point: 56 °C.

Identification

CAS Registry Number	822-36-6
PubChem CID	13195
Molecular formula	C4H6N2
IUPAC name	5-methyl-1H-imidazole
UNII (FDA)	Q64GF9FV4I

Computed Descriptors

Molecular Weight	82.10
XLogP3	0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	82.053098200
Monoisotopic Mass	82.053098200
Topological Polar Surface Area	28.7
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	263 °C
Boiling Point	263 °C @760 [mm Hg]
Melting Point	56 °C
Flash Point	157 °C (315 °F) (closed cup)
Density	1.0416 g/cu cm at 14 °C
Vapor Pressure	0.01 [mmHg]
LogP	log Kow = 0.23
LogP	0.23
Autoignition Temperature	555 °C

Physical description & handling notes

• Solid; [HSDB] Light yellow solid; [NTP] Light yellow powder; [Sigma-Aldrich MSDS]
• Crystals
• Very soluble in ethanol
• Index of refraction = 1.5037 at 14 °C/D

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Cosmetics ingredient -> Other (Specify)
GHS notification summary	2.4% (7 / 286)

GHS Hazard Classification

GHS notification summary	2.4% (7 / 286)
Reported hazard statements	H350, H302 (86%), H311 (54.9%), H312 (32.5%), H314 (95.5%), H318 (51.4%), H331 (10.8%), H335 (12.9%)

Documented Uses

• Used to make pharmaceuticals, antiseptic agents, and photo developing solutions; [HSDB] Present in caramel coloring, tobacco smoke, wine, soy sauce, and other foods; Also formed when ammonia is added to livestock feed to increase nutritional value; Used to make pharmaceuticals, photographic and photothermographic chemicals, dyes, pigments, agricultural chemicals, rubber, and inks; Also used in oven cleaners, as a crosslinking agent for epoxy resin hardeners, corrosion inhibitor for cooling water, and in absorbents
• Plastic Composites Manufacturing [Category: Industry]
• Has been reported as one of several compounds resulting from interaction of reducing sugars with ammonia; Major pharmaceutical intermediate; Starting material for drug used for ulcer therapy and other drugs, antiseptic agents; Photo developing solution.
• Cosmetics product ingredient: 4-Methylimidazole
• 1H-Imidazole, 5-methyl-: ACTIVE
• The toxicokinetics and metabolism of 4-methylimidazole (4-MZ) have been studied in the male F344 rat using 14C radiolabelled compound ... Elimination of 4-MZ after an iv dose of 5 mg/kg can be described by a two-compartment process with an estimated half-life of 1.8 hr ...

Synonyms

4-Methylimidazole; 822-36-6; 4-Methyl-1H-imidazole; 1H-Imidazole, 4-methyl-; 4(5)-Methylimidazole; 4-Me-i; 5-Methylimidazole; 4(or 5)-Methylimidazole; IMIDAZOLE, 4-METHYL-; 4-MEI; 1H-Imidazole, 5-methyl-; DTXSID9025617; Q64GF9FV4I; CHEBI:40035; NSC-40744; DTXCID805617

Frequently Asked Questions

What are the CAS number and molecular formula of 4-Methylimidazole?

CAS 822-36-6; molecular formula C4H6N2; molecular weight — g/mol.

What other names is 4-Methylimidazole known by?

4-Methylimidazole, 822-36-6, 4-Methyl-1H-imidazole, 1H-Imidazole, 4-methyl-, 4(5)-Methylimidazole, 4-Me-i.

What is the regulatory status of 4-Methylimidazole?

Documented regulatory listings: CIR / INCI: Cosmetics ingredient -> Other (Specify).

Is 4-Methylimidazole classified as hazardous?

2.4% of GHS notifications report no hazard classification (7 of 286).

What are the key physical properties of 4-Methylimidazole?

Boiling Point: 263 °C; Boiling Point: 263 °C @760 [mm Hg]; Melting Point: 56 °C; Flash Point: 157 °C (315 °F) (closed cup).

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.