Ethyl 5-hydroxy-3-methyl-1,2-oxazole-4-carboxylate
Basic information
- CAS
133827-50-6- Standard SMILES
CCOC(=O)c1c(C)[nH]oc1=O- InChIKey
PUYANFGWNLKKEH-UHFFFAOYSA-N- Molecular formula
- C7H9NO4
- Average molar mass
- 171.15 g/mol
- Monoisotopic mass
- 171.05315777
Names & identifiers
- Preferred name
- Ethyl 5-hydroxy-3-methyl-1,2-oxazole-4-carboxylate
- IUPAC
- ethyl 3-methyl-5-oxo-2H-1,2-oxazole-4-carboxylate
- English name
- ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate
- Molecular formula
- C7H9NO4
- Molecular weight
- 171.15
Names & synonyms
133827-50-6ETHYL 5-HYDROXY-3-METHYL-1,2-OXAZOLE-4-CARBOXYLATERefChem:595793829-454-5ethyl 5-hydroxy-3-methylisoxazole-4-carboxylate146037-86-7MFCD24394828ethyl 3-methyl-5-oxo-2H-1,2-oxazole-4-carboxylateethyl 3-methyl-5-oxo-2,5-dihydroisoxazole-4-carboxylateEthyl3-methyl-5-oxo-2,5-dihydroisoxazole-4-carboxylate4-isoxazolecarboxylic acid, 5-hydroxy-3-methyl-, ethyl esterNSC151718
Show more names
ethyl 5-hydroxy-3-methyl-4-isoxazolecarboxylate
SCHEMBL5251313SCHEMBL14710756ALBB-027181AKOS017259099NSC-1517184-ethoxycarbonyl-3-methylisoxazol-5-oneLS-09302DB-108936
Database identifiers
- CAS
133827-50-6- PubChem CID
- 289544
- EC Number
- 829-454-5
- Nikkaji
- J881.302G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 257.6 · 257.6±35.0 °C(Predicted)
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 5.98 · 5.98±0.28(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H335-H315-H319
- Precautionary statements
- 312 · P312-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 5 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H335-H315-H319
- Precautionary statements
- P312-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
2 records
Compound notes
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