2,4-Dimethyl-3-oxazoline
Basic information
- CAS
77311-02-5- Standard SMILES
CC1=NC(C)OC1- InChIKey
XHHACWPFKDHDGD-UHFFFAOYSA-N- Molecular formula
- C5H9NO
- Average molar mass
- 99.13 g/mol
- Monoisotopic mass
- 99.06841391
Overview
2,5-Dihydro-2,4-dimethyloxazole is an oxazole.
Names & identifiers
- Preferred name
- 2,4-Dimethyl-3-oxazoline
- IUPAC
- 2,4-dimethyl-2,5-dihydro-1,3-oxazole
- English name
- Oxazole, 2,5-dihydro-2,4-dimethyl-
- Molecular formula
- C5H9NO
- Molecular weight
- 99.13
Names & synonyms
2,4-DIMETHYL-3-OXAZOLINE2,4-dimethyl-2,5-dihydro-1,3-oxazole77311-02-5FEMA NO. 4429GPT5QGW41AOxazole, 2,5-dihydro-2,4-dimethyl-3-Oxazoline, 2,4-dimethyl-DTXSID508684302,4-DIMETHYL-3-OXAZOLINE [FHFI]RefChem:443743DTXCID40816541(+-)-2,4-DIMETHYL-3-OXAZOLINE
Show more names
2,4-DIMETHYL-3-OXAZOLINE, (+-)-2,4-Dimethyl-2,5-dihydrooxazole2,5-Dihydro-2,4-dimethyloxazoleUNII-GPT5QGW41ASCHEMBL3505359CHEBI:178254XHHACWPFKDHDGD-UHFFFAOYSA-N2,5-dihydro-2,4-dimethyl oxazole
Database identifiers
- CAS
77311-02-5- PubChem CID
- 53654
- DTXSID
DTXSID50868430- ChEBI
CHEBI:178254- UNII
- GPT5QGW41A
- Nikkaji
- J1.591.144A
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 98.3
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.002-1.008
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water
Soluble (in ethanol)
Boiling Point
141.00 °C. @ 760.00 mm Hg
141 °C
Refractive Index1.431-1.437
Physical DescriptionYellowish liquid; Boiled beef aroma
Physicochemical properties
- Boiling point
- 124.8 · 124.8±33.0 °C(Predicted)
- Density
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- FEMA
- 4429 · 4429 | 2,4-DIMETHYL-3-OXAZOLINE
- FLAVIS Number
- 13.115 · 13.115 | 2,4-Dimethyl-3-oxazoline
- pka
- 6.22 · 6.22±0.40(Predicted)
- Odor
- boiled beef
- JECFA Number
- 1558 · 1558
- LogP
- 1.22 · 1.22
- Substances Added to Food (formerly EAFUS)
- 2 · 2,4-DIMETHYL-3-OXAZOLINE
- FDA UNII
- 5 QGW41A · GPT5QGW41A
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 InformationOxazole, 2,5-dihydro-2,4-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Additional notes
DefinitionChEBI: 2,5-Dihydro-2,4-dimethyloxazole is an oxazole.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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