Basic information
- CAS
53833-30-0- Standard SMILES
CCc1nc(C)c(C)o1- InChIKey
LCYOFVYHDBWYSI-UHFFFAOYSA-N- Molecular formula
- C7H11NO
- Average molar mass
- 125.17 g/mol
- Monoisotopic mass
- 125.08406397
Overview
2-Ethyl-4,5-Dimethyloxazole is an oxazole.
Names & identifiers
- Preferred name
- 2-Ethyl-4,5-dimethyloxazole
- IUPAC
- 2-ethyl-4,5-dimethyl-1,3-oxazole
- English name
- FEMA 3672
- Molecular formula
- C7H11NO
- Molecular weight
- 125.17
Names & synonyms
2-Ethyl-4,5-dimethyloxazole2-Ethyl-4,5-dimethyl-1,3-oxazoleOxazole, 2-ethyl-4,5-dimethyl-2-Ethyl-4,5-dimethyl oxazole4,5-Dimethyl-2-ethyloxazoleFEMA No. 3672UNII-0W53S23NG42-Ethyl-4,5-dimethyl-OxazoleFEMA 36720W53S23NG4EINECS 258-815-4DTXSID3068885
Show more names
2-ethyl-4,5-dimethyl-oxazol2-ETHYL 4,5-DIMETHYL OXAZOLE
2-ETHYL-4,5-DIMETHYLOXAZOLE [FHFI]RefChem:86894DTXCID5041516258-815-4LCYOFVYHDBWYSI-UHFFFAOYSA-N53833-30-0MFCD00036664SCHEMBL1532490
Database identifiers
- CAS
53833-30-0- PubChem CID
- 62069
- DTXSID
DTXSID3068885- ChEBI
CHEBI:177638- UNII
- 0W53S23NG4
- EC Number
- 258-815-4
- Nikkaji
- J45.585G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.9
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.474-1.480
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water; Slightly soluble in oils
Soluble (in ethanol)
Boiling Point
60.00 °C. @ 18.00 mm Hg
137 °C (732 mm Hg)
Refractive Index1.454-1.460
Physical DescriptionColourless liquid; Burnt roasted aroma
Physicochemical properties
- Boiling point
- 166 ℃ · 166℃
- Density
- 0.956 · 0.956
- FLAVIS Number
- 13.091 · 13.091 | 4,5-Dimethyl-2-ethyloxazole
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 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1377 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Oxazole, 2-ethyl-4,5-dimethyl-
Oxazole, 2-ethyl-4,5-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P305+P351+P338-P337+P313
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
General Manufacturing InformationOxazole, 2-ethyl-4,5-dimethyl-: ACTIVE
Applications
UsesIt can be used to formulate flavorings in food additives.
OccurrenceReported found in roasted coffee and French fried potato.
Suppliers23 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
Aladdin Scientific[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
石家庄利达化学品有限公司+86 (311) 8573-7996 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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