Basic information
- CAS
57009-53-7- Standard SMILES
CCOC(=O)c1ccc(O)c(C(C)=O)c1- InChIKey
ZGEGDOHAFHDXAU-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Ethyl 3-acetyl-4-hydroxybenzoate
- IUPAC
- ethyl 3-acetyl-4-hydroxybenzoate
- English name
- Ethyl 3-acetyl-4-hydroxybenzoate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
ethyl 3-acetyl-4-hydroxybenzoate57009-53-7DTXSID70505032RefChem:343287DTXCID30455842Benzoic acid, 3-acetyl-4-hydroxy-, ethyl esterethyl 3-acetyl-4-hydroxy-benzoateSCHEMBL6970075ethyl3-acetyl-4-hydroxybenzoateZGEGDOHAFHDXAU-UHFFFAOYSA-N3-acetyl-4-hydroxy-benzoic acid ethyl ester
Database identifiers
- CAS
57009-53-7- PubChem CID
- 12631990
- DTXSID
DTXSID70505032
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 249
Physicochemical properties
- Melting point
- 90 · 90–92°C
- Boiling point
- 343.8 · 343.8±27.0 °C(Predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Predicted)
- pka
- 8.55 · 8.55±0.18(Predicted)
Chemistry & industry
Preparation methods
PreparationPrepared by refluxing the acid and ethyl alcohol in the presence of a few drops of concentrated sulfuric acid.
Suppliers8 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
海蔚化学86-21-51086038 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
宝鸡福诺康实业有限公司0917-3236817 13220096790 · [email protected]
Related reactions
4 records
Compound notes
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