Basic information
- CAS
692275-82-4- Standard SMILES
COc1cc(C=O)ccc1OCCOC(C)=O- InChIKey
PERBZSCRIFTMMD-UHFFFAOYSA-N- Molecular formula
- C12H14O5
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.08412355
Names & identifiers
- Preferred name
- 2-(4-Formyl-2-methoxyphenoxy)ethyl acetate
- IUPAC
- 2-(4-formyl-2-methoxyphenoxy)ethyl acetate
- English name
- AKOS B028876
- Molecular formula
- C12H14O5
- Molecular weight
- 238.24
Names & synonyms
2-(4-formyl-2-methoxyphenoxy)ethyl acetate692275-82-4MFCD023803394-(2-acetoxy-ethoxy)-3-methoxy-benzaldehyde2-(4-Formyl-2-methoxyphenoxy)ethylacetateSCHEMBL944536DTXSID40366798PERBZSCRIFTMMD-UHFFFAOYSA-NSTK398270AKOS000312998BS-36297DB-339605
Show more names
AKOS B028876CHEMBRDG-BB 7423058ART-CHEM-BB B028876Benzaldehyde, 4-[2-(acetyloxy)ethoxy]-3-methoxy-ACETIC ACID2-(4-FORMYL-2-METHOXY-PHENOXY)-ETHYL ESTER2-(4-formyl-2-methoxyphenoxy)ethyl acetate(SALTDATA: FREE)
CS-0358720ST450593522-(4-formyl-2-methoxy-phenoxy)ethyl acetateF315470SR-01000262049SR-01000262049-1
Database identifiers
- CAS
692275-82-4- PubChem CID
- 2170423
- DTXSID
DTXSID40366798
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 253
Physicochemical properties
- Boiling point
- 353.8 · 353.8±27.0 °C(Predicted)
- Density
- 1.178 · 1.178±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
10 records
Compound notes
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