Basic information
- CAS
4175-66-0- Standard SMILES
Cc1cnc(C)s1- InChIKey
WVUHHPQQQLBMOE-UHFFFAOYSA-N- Molecular formula
- C5H7NS
- Average molar mass
- 113.18 g/mol
- Monoisotopic mass
- 113.0299204
Overview
2,5-Dimethyl-1,3-thiazole is a member of thiazoles.
Names & identifiers
- Preferred name
- 2,5-Dimethylthiazole
- IUPAC
- 2,5-dimethyl-1,3-thiazole
- English name
- 2,5-Dimethylthiazole
- Molecular formula
- C5H7NS
- Molecular weight
- 113.18
Names & synonyms
2,5-Dimethylthiazole2,5-Dimethyl-1,3-thiazoleThiazole, 2,5-dimethyl-UNII-4JGJ9O7P4J4JGJ9O7P4JDTXSID3063336FEMA NO. 40352,5-DIMETHYLTHIAZOLE [FHFI]RefChem:82979DTXCID0039982806-489-4WVUHHPQQQLBMOE-UHFFFAOYSA-N
Show more names
5-DiMethylthiazole5-(1-hydroxy-2-phenylethyl)-1H-pyrimidine-2,4-dione
4175-66-0MFCD001301202,5-dimethyl-thiazole2,5-dimethyl thiazole25-DimethylthiazoleSCHEMBL119227SCHEMBL129036SCHEMBL193689
Database identifiers
- CAS
4175-66-0- PubChem CID
- 77837
- DTXSID
DTXSID3063336- ChEBI
CHEBI:184697- UNII
- 4JGJ9O7P4J
- EC Number
- 806-489-4
- Nikkaji
- J129.804F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 65.1
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.114-1.124 (20 °C)
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Soluble in non-polar solvents; slightly soluble in water
Soluble (in ethanol)
Boiling Point
152.00 °C. @ 760.00 mm Hg
148-150 °C
Melting Point69.00 °C. @ 760.00 mm Hg
Refractive Index1.523-1.527
Physical DescriptionYellow liquid; Cooked, brown and roasted nutty aroma
Physicochemical properties
- Boiling point
- 152 °C · 152°C (estimate)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 2,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2934100090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 2,5-dimethyl-: INACTIVE
Applications
OccurrenceReportedly present in several foods including meat, coffee, tea (black), cocoa and barley (roasted). Also formed in D-glucose/L-cysteine Maillard system upon microwave irradiation or conventional heating.
Upstream & downstream products
Downstream products
Suppliers96 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Related reactions
2 records
Compound notes
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