Ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate

HCID 315151

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Basic information

CAS: 23012-30-8
Standard SMILES: CCOC(=O)c1oc(C)nc1C
InChIKey: WCUUOYNIEQTQIO-UHFFFAOYSA-N
Molecular formula: C8H11NO3
Average molar mass: 169.18 g/mol
Monoisotopic mass: 169.07389321

Names & identifiers

Preferred name: Ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
IUPAC: ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
English name: ETHYL 2,4-DIMETHYLOXAZOLE-5-CARBOXYLATE
Molecular formula: C8H11NO3
Molecular weight: 169.18

Names & synonyms

ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylateRefChem:593474844-371-4ethyl 2,4-dimethyloxazole-5-carboxylate23012-30-85-Oxazolecarboxylic acid, 2,4-dimethyl-, ethyl esterMFCD06254441NSC238862ETHYL2,4-DIMETHYLOXAZOLE-5-CARBOXYLATESCHEMBL3274432DTXSID80311141WCUUOYNIEQTQIO-UHFFFAOYSA-N

Show more names

AKOS A0602-0415OTAVA-BB 71185607982,4-DIMETHYLOXAZOLE-5-CARBOXYLATEEthyl 2,4-dimethyl-5-Oxazolecarboxylic acid2,4-dimethyloxazole-5-carboxylic acid ethyl ester2,4-dimethyl-5-oxazolecarboxylic acid ethyl ester

ALBB-030048STL388002AKOS000320124NSC 238862NSC-238862CS-10486Ethyl 2,4-dimethyl-oxazole-5-carboxylateoxazole, 5-ethoxycarbonyl-2,4-dimethyl-

Database identifiers

CAS: 23012-30-8
PubChem CID: 315151
DTXSID: DTXSID80311141
EC Number: 844-371-4
Nikkaji: J988.201D

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 172

Physicochemical properties

Melting point: 55 · 55-56 °C
Boiling point: 98 · 98-103 °C(Press: 4 Torr)
Density: 1 · 1+-.0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 0.26 · 0.26±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2934999090 · 2934999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.