4-methylthiazole

Description

4-methylthiazole is identified by CAS 693-95-8, molecular formula C4H5NS and molecular weight 99.01 g/mol. UNII X8S174990R; ChEBI 35626; InChIKey QMHIMXFNBOYPND-UHFFFAOYSA-N. Boiling Point: 132 °C @ 743 MM HG; Boiling Point: 133.00 to 134.00 °C. @ 760.00 mm Hg; Boiling Point: 133-134 °C.

Identification

CAS Registry Number	693-95-8
PubChem CID	12748
Molecular formula	C4H5NS
Molecular weight	99.01 g/mol
IUPAC name	4-methyl-1,3-thiazole
InChIKey	QMHIMXFNBOYPND-UHFFFAOYSA-N
UNII (FDA)	X8S174990R
ChEBI ID	CHEBI:35626
FEMA number	3716
JECFA number	1043

Computed Descriptors

Molecular Weight	99.16
XLogP3	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	99.01427034
Monoisotopic Mass	99.01427034
Topological Polar Surface Area	41.1
Heavy Atom Count	6
Formal Charge	0

Physical & Chemical Properties

Boiling Point	132 °C @ 743 MM HG
Boiling Point	133.00 to 134.00 °C. @ 760.00 mm Hg
Boiling Point	133-134 °C
Density	1.112 @ 25 MM HG
Density	1.088-1.092
Vapor Pressure	8.6 [mmHg]
LogP	0.97
Refractive Index	1.519-1.528

Physical description & handling notes

• Colorless liquid; [Alfa Aesar MSDS]
• Clear, colourless liquid; nutty, green odour
• GREEN, NUTTY ODOR
• SOL IN WATER, ALCOHOL, ETHER
• Slightly soluble in water; Soluble in fats, most organic solvents
• Miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Green, Nut, Roasted Meat No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226 (13.8%), H302 (99.6%), H315 (13.6%), H319 (10.6%)

Documented Uses

• Used as a research chemical and as a chemical intermediate for 4-Cyanothiazole; Reportedly found naturally in certain foods; [HSDB] Used as a flavoring agent; [JECFA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• PROBABLY BY REACTION OF THIOFORMAMIDE WITH 1-CHLOROPROPANONE

Synonyms

4-METHYLTHIAZOLE; 693-95-8; 4-Methyl-1,3-thiazole; Thiazole, 4-methyl-; FEMA No. 3716; DTXSID5027300; CHEBI:35626; NSC-42976; X8S174990R; DTXCID307300; RefChem:99952; 211-764-1; 4-methyl thiazole; 4-Methyl-Thiazole; MFCD00005340; CHEMBL1566946

Frequently Asked Questions

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

CAS 693-95-8; molecular formula C4H5NS; molecular weight 99.01 g/mol.

What other names is 4-methylthiazole known by?

4-METHYLTHIAZOLE, 693-95-8, 4-Methyl-1,3-thiazole, Thiazole, 4-methyl-, FEMA No. 3716, DTXSID5027300.

What is the regulatory status of 4-methylthiazole?

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

Is 4-methylthiazole classified as hazardous?

Hazard statements reported: H226, H302, H315, H319.

What are the key physical properties of 4-methylthiazole?

Boiling Point: 132 °C @ 743 MM HG; Boiling Point: 133.00 to 134.00 °C. @ 760.00 mm Hg; Boiling Point: 133-134 °C; Density: 1.112 @ 25 MM HG.

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.