Ethyl 2,5-dimethyl-1,3-oxazole-4-carboxylate
Basic information
- CAS
23000-15-9- Standard SMILES
CCOC(=O)c1nc(C)oc1C- InChIKey
UIJNXKDPFUQGEF-UHFFFAOYSA-N- Molecular formula
- C8H11NO3
- Average molar mass
- 169.18 g/mol
- Monoisotopic mass
- 169.07389321
Names & identifiers
- Preferred name
- Ethyl 2,5-dimethyl-1,3-oxazole-4-carboxylate
- IUPAC
- ethyl 2,5-dimethyl-1,3-oxazole-4-carboxylate
- English name
- Ethyl 2,5-dimethyl-1,3-oxazole-4-carboxylate
- Molecular formula
- C8H11NO3
- Molecular weight
- 169.18
Names & synonyms
23000-15-9ethyl 2,5-dimethyl-1,3-oxazole-4-carboxylateDTXSID10427800RefChem:593490DTXCID40378634852-025-9Ethyl 2,5-dimethyloxazole-4-carboxylateMFCD067974654-Oxazolecarboxylic acid, 2,5-dimethyl-, ethyl esterSCHEMBL2616840YAA00015SBB088274
Show more names
2,5-Dimethyl-4-(ethoxycarbonyl)-1,3-oxazole2,5-dimethylazole-4-carboxylic acidethyl esterEthyl 2,5-dimethyl-1,3-oxazole-4-carboxylate 97%2,5-Dimethyl-4-oxazolecarboxylic acid ethyl esterEthyl 2,5-dimethyl-1,3-oxazole-4-carboxylate, tech
XH1202AKOS006220448oxazole, 4-ethoxycarbonyl-2,5-dimethyl-SY173652TS-02294CS-0151836EN300-50384F323871
Database identifiers
- CAS
23000-15-9- PubChem CID
- 7127789
- DTXSID
DTXSID10427800- EC Number
- 852-025-9
- Nikkaji
- J702.883K
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 112 · 112-115°C 10mm
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- solid
- pka
- 0.38 · 0.38±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- InChI
- 1S/C8H11NO3/c1-4-11-8(10)7-5(2)12-6(3)9-7/h4H2,1-3H3
- InChIKey
- UIJNXKDPFUQGEF-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1nc(C)oc1C
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2934999090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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