2,4-Dimethylthiazole
Basic information
- CAS
541-58-2- Standard SMILES
Cc1csc(C)n1- InChIKey
OBSLLHNATPQFMJ-UHFFFAOYSA-N- Molecular formula
- C5H7NS
- Average molar mass
- 113.18 g/mol
- Monoisotopic mass
- 113.0299204
Overview
2,4-Dimethylthiazole is a member of thiazoles.
Names & identifiers
- Preferred name
- 2,4-Dimethylthiazole
- IUPAC
- 2,4-dimethyl-1,3-thiazole
- English name
- 2,4-Dimethylthiazole
- Molecular formula
- C5H7NS
- Molecular weight
- 113.18
Names & synonyms
2,4-DIMETHYLTHIAZOLE2,4-Dimethyl-1,3-thiazoleThiazole, 2,4-dimethyl-2,4-MethylthiazoleNSC 7510EINECS 208-786-9UNII-LHT97038OABRN 0106414LHT97038OANSC-75104-27-00-00981 (Beilstein Handbook Reference)DTXSID2060250
Show more names
JACS-541-58-2Compound Fr145654-DiMethylthiazole2,4-dimethyl-thiazol2,4-Dimethylthiazole,97%2,4-Dimethylthiazole,98%
RefChem:82556DTXCID2041597208-786-9OBSLLHNATPQFMJ-UHFFFAOYSA-N541-58-2dimethylthiazol2,4-dimethyl thiazole2,4-dimethyl-thiazole
Database identifiers
- CAS
541-58-2- PubChem CID
- 10934
- DTXSID
DTXSID2060250- ChEBI
CHEBI:193946- UNII
- LHT97038OA
- EC Number
- 208-786-9
- Nikkaji
- J45.578D
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
SpringerMaterials PropertiesBoiling point
Flavoring AgentsEU Flavoring substances
Boiling Point145.00 °C. @ 760.00 mm Hg
Melting Point69.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- 272 °C · 272 °C
- Boiling point
- 146 °C · 146 °C
- Density
- 1.06 · 1.06
- refractive index
- 1.51 · 1.51
- FLAVIS Number
- 15.062 · 15.062 | 2,4-Dimethylthiazole
- Flash point
- 43 °C · 43 °C
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- 1 · pK1:3.98 (25°C,μ=0.1)
- form
- clear liquid
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 (100%): 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, 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 162 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Thiazole, 2,4-dimethyl-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Thiazole, 2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- XJ4375000
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29339900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- safety_code
- 16-26-36-37/39
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
General Manufacturing InformationThiazole, 2,4-dimethyl-: ACTIVE
Applications
Uses2,4-Dimethylthiazole is a substance used in the preparation of insects repellant. It also functions as an anesthetic for aquatic animals. 2,4-Dimethylthiazole is a flavor component of peanut oils.
Upstream & downstream products
Upstream raw materials
Related reactions
21 records
Compound notes
Loading…