Ethyl 4-methyloxazole-5-carboxylate

HCID 88558

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Basic information

CAS: 20485-39-6
Standard SMILES: CCOC(=O)c1ocnc1C
InChIKey: XNMORZSEENWFLI-UHFFFAOYSA-N
Molecular formula: C7H9NO3
Average molar mass: 155.15 g/mol
Monoisotopic mass: 155.05824315

Names & identifiers

Preferred name: Ethyl 4-methyloxazole-5-carboxylate
IUPAC: ethyl 4-methyl-1,3-oxazole-5-carboxylate
English name: Ethyl 4-methyl-1,3-oxazole-5-carboxylate
Molecular formula: C7H9NO3
Molecular weight: 155.15

Names & synonyms

Ethyl 4-methyloxazole-5-carboxylate20485-39-65-Oxazolecarboxylic acid, 4-methyl-, ethyl ester4-Methyl-oxazole-5-carboxylic acid ethyl esterIKW37IL2S5EINECS 243-848-9EC 243-848-9DTXSID40174451RefChem:595474DTXCID4096942243-848-9Ethyl 4-methyl-1,3-oxazole-5-carboxylate

Show more names

4-methyl-1,3-oxazole-5-carboxylate5-(Ethoxycarbonyl)-4-methyl-1,3-oxazoleEthyl 4-Methyloxazole-5-carboxylate, 97+%

ethyl4-methyloxazole-5-carboxylate4-methyloxazole-5-carboxylic acid ethyl esterMFCD00062573UNII-IKW37IL2S54-methyl-5-oxazolecarboxylic acid ethyl ester5-Ethoxycarbonyl-4-methyloxazole4-Methyl-oxazole-5-carbox4-methyl-5-carbethoxyoxazole

Database identifiers

CAS: 20485-39-6
PubChem CID: 88558
DTXSID: DTXSID40174451
UNII: IKW37IL2S5
EC Number: 243-848-9
Nikkaji: J280.605C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 149

Physicochemical properties

Melting point: 38 °C · 38 °C
Boiling point: 62 °C/1.5mmHg · 62°C/1.5mmHg(lit.)
Density: 1.139 · 1.139±0.06 g/cm3(Predicted)
refractive index: 1.468 to · 1.4680 to 1.4720
storage temp.: 2 · 2-8°C
form: clear liquid
pka: -0.8 · -0.80±0.14(Predicted)
color: Colorless to Light orange to Yellow
CAS DataBase Reference: 20485 · 20485-39-6
FDA UNII: 37 IL2S5 · IKW37IL2S5
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2934999090 · 2934999090
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.