Basic information
- CAS
58518-78-8- Standard SMILES
COc1ccc(C(=O)COC(C)=O)cc1- InChIKey
CZNYQWIMWIBATO-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-2-oxoethyl acetate
- IUPAC
- [2-(4-methoxyphenyl)-2-oxoethyl] acetate
- English name
- 2-(4-Methoxyphenyl)-2-oxoethyl acetate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21058
Names & synonyms
2-(4-methoxyphenyl)-2-oxoethyl acetate58518-78-8[2-(4-methoxyphenyl)-2-oxoethyl] acetateMFCD00540316Ethanone, 2-(acetyloxy)-1-(4-methoxyphenyl)-NSC67350p-Methoxyphenacyl acetateNCIOpen2_003160SCHEMBL3042221DTXSID90290211CZNYQWIMWIBATO-UHFFFAOYSA-Nalpha-acetoxy-p-methoxyacetophenone
Show more names
NSC-67350AKOS0050718832-(4-Methoxyphenyl)-2-oxoethylacetateBB-0701CS-0319796F722990SR-01000195069SR-01000195069-1
Database identifiers
- CAS
58518-78-8- PubChem CID
- 249264
- DTXSID
DTXSID90290211- Nikkaji
- J1.149.480C
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 63 · 63-65°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2918999090 · 2918999090
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
- hs_code
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Preparation methods
PreparationObtained by reaction of sodium acetate with 2-bromo-4′-methoxyacetophenone in boiling methanol for 48 h (43%) Also obtained by reaction of potassium thioacetate with 4-methoxy-a-chloroacetophenone Also obtained from 4-methoxyacetophenone and [hydroxy(tosyloxy)iodo]ben-zene (HTIB)/polymer-supported [hydroxy(tosyloxy)iodo]benzene (PSHTIB) in N,N-dimethyl-formamide/dimethylacetamide (74%).
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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