Basic information
- CAS
38205-60-6- Standard SMILES
CC(=O)c1sc(C)nc1C- InChIKey
BLQOKWQUTLNKON-UHFFFAOYSA-N- Molecular formula
- C7H9NOS
- Average molar mass
- 155.22 g/mol
- Monoisotopic mass
- 155.04048491
Overview
5-Acetyl-2,4-dimethylthiazole is a member of thiazoles.
Names & identifiers
- Preferred name
- 2,4-Dimethyl-5-acetylthiazole
- IUPAC
- 1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanone
- English name
- 5-Acetyl-2,4-dimethylthiazole
- Molecular formula
- C7H9NOS
- Molecular weight
- 155.22
Names & synonyms
5-Acetyl-2,4-dimethylthiazole38205-60-62,4-dimethyl-5-acetylthiazole1-(2,4-Dimethylthiazol-5-yl)ethanoneEthanone, 1-(2,4-dimethyl-5-thiazolyl)-nutty thiazoleFEMA No. 32671-(2,4-Dimethylthiazol-5-yl)ethan-1-onePD36FU2WGY2,4-Dimethyl-5-thiazoyl methyl ketone1-(2,4-Dimethyl-5-thiazolyl)ethanoneKetone, 2,4-dimethyl-5-thiazolyl methyl
Show more names
FEMA 3267FEMA NUMBER 3267TIMTEC-BB SBB0066245-Acetyl-2,4-dimethyltriazole2,4-Dimethyl-5-acetylthiozole2,4-DIMETHYL-5-ACETHYLTHIAZOLE
1-(dimethyl-1,3-thiazol-5-yl)ethan-1-oneEINECS 253-826-02,4-dimethyl-5-acetyl-thiazoleDIMETHYL-5-ACETYLTHIAZOLE, 2,4-2,4-DIMETHYL-5-ACETYL-THIAZOLE [FHFI]RefChem:4437501-(2,4-Dimethyl-1,3-thiazol-5-yl)ethanoneMFCD00005331
Database identifiers
- CAS
38205-60-6- PubChem CID
- 520888
- DTXSID
DTXSID8047680- ChEMBL
CHEMBL3185257- ChEBI
CHEBI:169013- UNII
- PD36FU2WGY
- EC Number
- 253-826-0
- Nikkaji
- J37.312E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 149
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.147-1.152
Flavoring AgentsEU Flavoring substances
Solubility
slightly
Insoluble in water; Soluble in fats, oils, most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point
228.00 to 230.00 °C. @ 760.00 mm Hg
228-230 °C
Refractive Index1.536-1.547
Physical DescriptionClear, colourless to pale yellow liquid; slightly sulferous, meaty, nutty odour
Collision Cross Section129.2 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8047680]
Physicochemical properties
- Boiling point
- 228 · 228-230 °C (lit.)
- Density
- 1.15 g/mL · 1.15 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.543(lit.)
- FEMA
- 3267 · 3267 | 2,4-DIMETHYL-5-ACETYLTHIAZOLE
- FLAVIS Number
- 15.011 · 15.011 | 5-Acetyl-2,4-dimethylthiazole
- Flash point
- 220 °F · 220 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- pka
- 1.97 · 1.97±0.10(Predicted)
- color
- Light yellow to Brown
- Specific Gravity
- 1.15 · 1.15
- Odor
- 0.1 % · at 0.10 % in dipropylene glycol. meaty sulfurous nutty boiled meat
- Odor Type
- nutty
- biological source
- synthetic
- JECFA Number
- 1055 · 1055
- BRN
- 120560 · 120560
- InChI
- 1S/C7H9NOS/c1-4-7(5(2)9)10-6(3)8-4/h1-3H3
- InChIKey
- BLQOKWQUTLNKON-UHFFFAOYSA-N
- SMILES
- CC(=O)c1sc(C)nc1C
- LogP
- 1.01 · 1.01
- CAS DataBase Reference
- 38205 · 38205-60-6(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- 2 · 2,4-DIMETHYL-5-ACETYLTHIAZOLE
- FDA UNII
- 36 FU2WGY · PD36FU2WGY
- NIST Chemistry Reference
- 5 · 5-Acetyl-2,4-dimethylthiazole(38205-60-6)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Danger
- Hazard statements
- 315 · H315-H319-H334-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-43-22
- Safety Statements
- 26 · 26-37/39-36/37/39
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Resp · Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
Safety & regulation
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 1593 reports by companies from 7 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Ethanone, 1-(2,4-dimethyl-5-thiazolyl)-: 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
- hs_code
- 29349990
- risk_code
- 36/37/38-43-22
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xi,Xn
- safety_code
- 26-37/39-36/37/39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H334-H335
- Hazard Classifications
- Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
Usesflavors and fragrances
General DescriptionConversion of 5-acetyl-2,4-dimethylthiazoleoxime by SeO2 via deoximation to 5-acetyl-2,4-dimethylthiazole has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
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Additional notes
DefinitionChEBI: 5-Acetyl-2,4-dimethylthiazole is a member of thiazoles.
Related reactions
25 records
Compound notes
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