Basic information
- CAS
18256-48-9- Standard SMILES
COc1cc(C(=O)CO)ccc1O- InChIKey
QNMANLUEFQNQCX-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Overview
Alpha-hydroxyacetovanillone is an aromatic ketone.
Names & identifiers
- Preferred name
- 2-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethanone
- IUPAC
- 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethanone
- English name
- 4-08-00-02739 (Beilstein Handbook Reference)
- Molecular formula
- C9H10O4
- Molecular weight
- 182.17
Names & synonyms
2-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethanone18256-48-9Acetophenone, 2,4'-dihydroxy-3'-methoxy-DTXSID00171305RefChem:1063321DTXCID20937962,4'-Dihydroxy-3'-methoxyacetophenonealpha-HydroxyacetovanilloneEthanone, 2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-alpha-Hydroxyacetoguaiaconealpha,4-Dihydroxy-3-methoxyacetophenoneBRN 2259722
Show more names
NSC5264644-08-00-02739 (Beilstein Handbook Reference)2-hydroxy-1-(4-hydroxy-3-methoxyphenyl)ethan-1-oneCHEMBL592620SCHEMBL1491848CHEBI:208387QNMANLUEFQNQCX-UHFFFAOYSA-NPhenol, 4-hydroxyacetyl-2-methoxy-
Database identifiers
- CAS
18256-48-9- PubChem CID
- 87530
- DTXSID
DTXSID00171305- ChEMBL
CHEMBL592620- ChEBI
CHEBI:208387- Nikkaji
- J423.306I
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Melting point
- 160 · 160–161°C
- Boiling point
- 370.4 · 370.4±27.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 7.83 · 7.83±0.20(Predicted)
- LogP
- 0.558 · 0.558 (est)
Chemistry & industry
Preparation methods
PreparationPreparation by total hydrolysis of 3-methoxy4,a-diacetoxy-acetophenone (m.p. 77–78°) in methanol with concentrated hydrochloric acid,for 4–5 h at r.t. (78%) during 14 h at 20°, then for 30 min at reflux (67%).
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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