2-Ethyl-4-methyl thiazole
Basic information
- CAS
15679-12-6- Standard SMILES
CCc1nc(C)cs1- InChIKey
VGRVKVGGUPOCMT-UHFFFAOYSA-N- Molecular formula
- C6H9NS
- Average molar mass
- 127.21 g/mol
- Monoisotopic mass
- 127.04557046
Overview
2-Ethyl-4-methylthiazole is a member of thiazoles.
Names & identifiers
- Preferred name
- 2-Ethyl-4-methyl thiazole
- IUPAC
- 2-ethyl-4-methyl-1,3-thiazole
- English name
- 2-Ethyl-4-methyl thiazole
- Molecular formula
- C6H9NS
- Molecular weight
- 127.21
Names & synonyms
2-ETHYL-4-METHYLTHIAZOLE15679-12-62-Ethyl-4-methyl thiazoleThiazole, 2-ethyl-4-methyl-2-Ethyl-4-methyl-1,3-thiazoleFEMA No. 3680LVC1ZV6X4UEINECS 239-757-9DTXSID60659232-ETHYL-4-METHYL THIAZOLE [FHFI]RefChem:471819DTXCID9035042
Show more names
FEMA 3680FEMA NUMBER 36802-Ethyl-4-Methyl thi2-ethyl-4-methyl-thiazolETHYL-4-METHYLTHIAZOLE, 2-2-Ethyl-4-methylthiazole>2-Ethyl-4-methylthiazole ,99%
239-757-92-ethyl-4-methyl-thiazoleMFCD000366214-Methyl-2-ethylthiazoleUNII-LVC1ZV6X4USCHEMBL129955SCHEMBL129956SCHEMBL770836
Database identifiers
- CAS
15679-12-6- PubChem CID
- 27440
- DTXSID
DTXSID6065923- ChEBI
CHEBI:178615- UNII
- LVC1ZV6X4U
- EC Number
- 239-757-9
- Nikkaji
- J45.589J
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.9
Experimental & physicochemical properties
FragrancesFragrance Ingredient (2-Ethyl-4-methylthiazole) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.026-1.031
Flavoring AgentsEU Flavoring substances
Solubility
Slightly soluble in water; Soluble in fats
Miscible at room temperature (in ethanol)
Boiling Point
161.00 to 162.00 °C. @ 760.00 mm Hg
161-162 °C
Refractive Index1.500-1.510
Physical Description
Liquid
Colourless to pale yellow liquid; nutty, green odour
Physicochemical properties
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
H302 (97.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1600 reports by companies from 10 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Thiazole, 2-ethyl-4-methyl-
Regulation (EC) No 1831/2003 (amended)
Thiazole, 2-ethyl-4-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (97.1%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29341000
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 16-26-36
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
General Manufacturing InformationThiazole, 2-ethyl-4-methyl-: ACTIVE
Applications
OccurrenceReported found in roasted coffee, raspberry and roasted pork.
Uses2-ethyl-4-methyl-1,3-thiazole is:Safe and effective flavoring agent for use in animal feed, provided it is used at recommended levels and guidelines .Key aroma compound in chicken soup stock.
Preparation methods
PreparationBy esterification of cis-3-hexenol with benzoic acid.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: 2-Ethyl-4-methylthiazole is a member of thiazoles.
Related reactions
3 records
Compound notes
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