Basic information
- CAS
4136-21-4- Standard SMILES
COc1ccc(C(=O)CO)cc1- InChIKey
YTOKFOPFITZGDM-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 2-Hydroxy-1-(4-methoxyphenyl)ethanone
- IUPAC
- 2-hydroxy-1-(4-methoxyphenyl)ethanone
- English name
- 2-Hydroxy-1-(4-methoxyphenyl)-1-ethanone
- Molecular formula
- C9H10O3
- Molecular weight
- 166.17
Names & synonyms
4136-21-42-Hydroxy-1-(4-methoxyphenyl)ethanonealpha-Hydroxy-4'-methoxyacetophenoneDTXSID50194307RefChem:1063323DTXCID20116798223-955-72-hydroxy-1-(4-methoxyphenyl)-1-ethanone2-hydroxy-1-(4-methoxyphenyl)ethan-1-oneMFCD000046682-hydroxy-4'-methoxyacetophenone1-(4-methoxyphenyl)-2-hydroxyethanone
Show more names
A-HYDROXY-4-METHOXYACETOPHENONEα-Hydroxy-4'-methoxyacetophenone4'-Methoxy-α-hydroxyacetophenoneα-hydroxy-4'-methoxyacetophenone
Ethanone, 2-hydroxy-1-(4-methoxyphenyl)-NSC 67341NSC67341EINECS 223-955-7AI3-10587NCIOpen2_000078SCHEMBL505810SCHEMBL1267569
Database identifiers
- CAS
4136-21-4- PubChem CID
- 77786
- DTXSID
DTXSID50194307- EC Number
- 223-955-7
- Nikkaji
- J224.942A
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 100 · 100-103°C
- Boiling point
- 316.6 · 316.6±17.0 °C(Predicted)
- Density
- 1.166 · 1.166±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 12.88 · 12.88±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- CAS DataBase Reference
- 4136 · 4136-21-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
- HazardClass
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 (50%): 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)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (50%)
Safety data
- hs_code
- 2914500090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Preparation methods
PreparationObtained by photocatalytic oxidation of 2-(4-methoxyphenyl)-1,2-ethanediol using silica-encapsulated H3PW12O40 as photocatalyst in acetonitrile for 1 h at r.t. under oxygen as the sole reoxidant of the catalyst Also obtained by treatment of 4-methoxyacetophenone with iodosobenzene in methanolic sodium hydroxide (50%).
Upstream & downstream products
Downstream products
Suppliers35 total
陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
4 records
Compound notes
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