5-methyl-1,3-oxazole-4-carboxylic Acid

HCID 11355484

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Basic information

CAS: 103879-58-9
Standard SMILES: Cc1ocnc1C(=O)O
InChIKey: QIACATCUODRSLS-UHFFFAOYSA-N
Molecular formula: C5H5NO3
Average molar mass: 127.1 g/mol
Monoisotopic mass: 127.02694302

Names & identifiers

Preferred name: 5-methyl-1,3-oxazole-4-carboxylic Acid
IUPAC: 5-methyl-1,3-oxazole-4-carboxylic acid
English name: 5-METHYL-1,3-OXAZOLE-4-CARBOXYLIC ACID
Molecular formula: C5H5NO3
Molecular weight: 127.1

Names & synonyms

103879-58-95-methyl-1,3-oxazole-4-carboxylic AcidDTXSID50463242RefChem:303911DTXCID40414061805-950-75-methyloxazole-4-carboxylic acidMFCD080563094-Oxazolecarboxylic acid, 5-methyl-5-methyl-4-oxazolecarboxylic acidSCHEMBL4397215-Methyl-oxazole-4-carboxylic acid

Show more names

5-Methyl-oxazol-4-carboxylic acid4-Carboxy-5-methyl-1,3-oxazole5-Methyl-1,3-oxazole-4-carboxylicacid98%5-methyl-1,3-oxazole-4-carboxylic acid(SALTDATA: FREE)

QIACATCUODRSLS-UHFFFAOYSA-NALBB-022765SBB053173AKOS001836446DS-0303PS-5718SY015419DB-032179

Database identifiers

CAS: 103879-58-9
PubChem CID: 11355484
DTXSID: DTXSID50463242
EC Number: 805-950-7

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 274 ℃ · 274℃
Density: 1.348 · 1.348
Flash point: 120 ℃ · 120℃
storage temp.: 2 · 2-8°C
pka: 3.06 · 3.06±0.31(Predicted)
Appearance: White to off-white Solid
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

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (66.7%): 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.；Reported as not meeting GHS hazard criteria per 1 of 3 reports by companies.；There are 2 notifications provided by 2 of 3 reports by companies with hazard statement code(s).；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.