Ethyl 5-ethoxy-2-hydroxybenzoate
Basic information
- CAS
14160-70-4- Standard SMILES
CCOC(=O)c1cc(OCC)ccc1O- InChIKey
BSRPONIXRNBZGU-UHFFFAOYSA-N- Molecular formula
- C11H14O4
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.08920892
Names & identifiers
- Preferred name
- Ethyl 5-ethoxy-2-hydroxybenzoate
- IUPAC
- ethyl 5-ethoxy-2-hydroxybenzoate
- English name
- Ethyl 5-ethoxy-2-hydroxybenzoate
- Molecular formula
- C11H14O4
- Molecular weight
- 210.23
Names & synonyms
ethyl 5-ethoxy-2-hydroxybenzoate14160-70-4Ethyl-5-ethoxy-2-hydroxybenzoateSCHEMBL10469566DTXSID40403096BSRPONIXRNBZGU-UHFFFAOYSA-NEthyl-5-ethoxy-2-hydroxybenzoate, 97%AS-85698DB-008601H57916Benzoic acid, 5-ethoxy-2-hydroxy-, ethyl ester5-ethoxy-salicylic acid ethyl ester
Show more names
5-ETHOXY-2-HYDROXYBENZOIC ACID ETHYL ESTER
Database identifiers
- CAS
14160-70-4- PubChem CID
- 4419976
- DTXSID
DTXSID40403096
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Melting point
- 63 · 63-67 °C (lit.)
- Boiling point
- 310.7 · 310.7±22.0 °C(Predicted)
- Density
- 1.15 · 1.150±0.06 g/cm3(Predicted)
- pka
- 10.46 · 10.46±0.18(Predicted)
- form
- solid
- InChI
- 1S/C11H14O4/c1-3-14-8-5-6-10(12)9(7-8)11(13)15-4-2/h5-7,12H,3-4H2,1-2H3
- InChIKey
- BSRPONIXRNBZGU-UHFFFAOYSA-N
- SMILES
- CCOC(=O)c1cc(OCC)ccc1O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Related reactions
1 records
Compound notes
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