Ethyl 3-ethoxy-4-methylbenzoate
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Basic information
- CAS
1196047-01-4- Standard SMILES
CCOC(=O)c1ccc(C)c(OCC)c1- InChIKey
JEUNHRSFFDHSOX-UHFFFAOYSA-N- Molecular formula
- C12H16O3
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.10994437
Names & identifiers
- Preferred name
- Ethyl 3-ethoxy-4-methylbenzoate
- IUPAC
- ethyl 3-ethoxy-4-methylbenzoate
- English name
- ethyl 3-ethoxy-4-methylbenzoate
- Molecular formula
- C12H16O3
- Molecular weight
- 208.26
Names & synonyms
ethyl 3-ethoxy-4-methylbenzoate1196047-01-4Ethyl 5-ethoxy-4-methylbenzoateBenzoic acid, 3-ethoxy-4-methyl-, ethyl esterSCHEMBL670450SCHEMBL30469408JEUNHRSFFDHSOX-UHFFFAOYSA-NMFCD26402596DA-14682E93044A1-00463EOS-62101
Database identifiers
- CAS
1196047-01-4- PubChem CID
- 23136282
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Boiling point
- 291.8 · 291.8±20.0 °C(Predicted)
- Density
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
4 records
Compound notes
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