Basic information
- CAS
43039-98-1- Standard SMILES
CCC(=O)c1nccs1- InChIKey
TYRAENAWSLPSLW-UHFFFAOYSA-N- Molecular formula
- C6H7NOS
- Average molar mass
- 141.19 g/mol
- Monoisotopic mass
- 141.02483502
Names & identifiers
- Preferred name
- 2-Propionylthiazole
- IUPAC
- 1-(1,3-thiazol-2-yl)propan-1-one
- English name
- 2-Propionylthiazole
- Molecular formula
- C6H7NOS
- Molecular weight
- 141.19
Names & synonyms
2-Propionylthiazole43039-98-12-Propionyl thiazole1-Propanone, 1-(2-thiazolyl)-Thiazole, 2-propionyl-1-(2-Thiazolyl)-1-propanoneEthyl 2-thiazolyl ketoneFEMA No. 3611BRN 050783805CB62UH9K2-PROPIONYLTHIAZOLE [FHFI]PROPIONYLTHIAZOLE, 2-
Show more names
FEMA NUMBER 36112-propionyl-thiazol2-Propionyll thiazole2-Propionylthiazole,99%2-thiazolyl-1-propanone
DTXSID90195651RefChem:483246DTXCID301181421-(Thiazol-2-yl)propan-1-one1-(1,3-thiazol-2-yl)propan-1-one2-propionylthiazolMFCD016814042-Propanoylthiazole
Database identifiers
- CAS
43039-98-1- PubChem CID
- 65288
- DTXSID
DTXSID90195651- UNII
- 05CB62UH9K
- Nikkaji
- J1.539.213D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.205-1.210
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Soluble in fats, oils, most organic solvents
Miscible at room temperature (in ethanol)
Boiling Point95 °C (1 mm Hg)
Refractive Index1.528-1.533
Physical DescriptionPale yellow, oily liquid; brown-roasted, vanilla-like odour
Physicochemical properties
- Boiling point
- 110 °C/5mm · 110°C/5mm
- Density
- 1.174 · 1.174
- refractive index
- 1.535 · 1.5350-1.5390
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information
Chemical: 1-Propanone, 1-(2-thiazolyl)-
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
1-Propanone, 1-(2-thiazolyl)-: Does not have an individual approval but may be used under an appropriate group standard
Safety data
- rtecs
- XJ5123000
- ridadr
- 1993
- hs_code
- 2934100090
- risk_code
- 10-36/37/38-41-37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37/39-39
- hazard_class
- IRRITANT
- Hazard statements
- 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
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Applications
OccurrenceReported found in lard.
UsesUsed as flavoring agent and fragrance chemical compounds.
Upstream & downstream products
Upstream raw materials
Suppliers96 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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