2-methoxy-4-[(E)-2-phenylethenyl]phenyl 3,4,5-trimethoxybenzoate
Basic information
- CAS
302802-92-2- Standard SMILES
COc1cc(/C=C/c2ccccc2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1- InChIKey
RRNKEAKOYVNWBQ-ZHACJKMWSA-N- Molecular formula
- C25H24O6
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.15728848
Names & identifiers
- Preferred name
- 2-methoxy-4-[(E)-2-phenylethenyl]phenyl 3,4,5-trimethoxybenzoate
- IUPAC
- [2-methoxy-4-[(E)-2-phenylethenyl]phenyl] 3,4,5-trimethoxybenzoate
- English name
- (E)-2-methoxy-4-styrylphenyl 3,4,5-trimethoxybenzoate
- Molecular formula
- C25H24O6
- Molecular weight
- 420.46
Names & synonyms
2-methoxy-4-[(E)-2-phenylethenyl]phenyl 3,4,5-trimethoxybenzoate302802-92-2Oprea1_460661STK624016AKOS002270461ST50187892(E)-2-methoxy-4-styrylphenyl 3,4,5-trimethoxybenzoate4-((1E)-2-phenylvinyl)-2-methoxyphenyl 3,4,5-trimethoxybenzoate2-METHOXY-4-(2-PHENYLVINYL)PHENYL 3,4,5-TRIMETHOXYBENZOATEBenzoic acid, 3,4,5-trimethoxy-, 2-methoxy-4-(2-phenylethenyl)phenyl ester
Database identifiers
- CAS
302802-92-2- PubChem CID
- 978557
- EC Number
- 144-464-3
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Boiling point
- 548.933 · 548.933±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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