Basic information
- CAS
331459-99-5- Standard SMILES
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C/C(=O)c2ccccc2)cc1- InChIKey
AQUDAQATXWUGHF-HBKJEHTGSA-N- Molecular formula
- C24H18O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.12559443
Names & identifiers
- Preferred name
- [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
- IUPAC
- [4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
- English name
- 4-(3-Oxo-3-phenyl-1-propenyl)phenyl 3-phenylacrylate
- Molecular formula
- C24H18O3
- Molecular weight
- 354.4
Names & synonyms
4-[(1E)-3-oxo-3-phenyl-1-propenyl]phenyl (2E)-3-phenyl-2-propenoate331459-99-52-Propenoic acid, 3-phenyl-, 4-(3-oxo-3-phenyl-1-propenyl)phenyl ester[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoateAKOS002719611AA-768/32245008Reaxys ID: 94095584-(3-Oxo-3-phenyl-1-propenyl)phenyl 3-phenylacrylate4-(3-oxo-3-phenylprop-1-en-1-yl)phenyl 3-phenylacrylate3-PHENYL-ACRYLIC ACID 4-(3-OXO-3-PHENYL-PROPENYL)-PHENYL ESTER4-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl (2Z)-3-phenylprop-2-enoate2-Propenoic acid, 3-phenyl-, 4-(3-oxo-3-phenyl-1-propen-1-yl)phenyl ester
Database identifiers
- CAS
331459-99-5- PubChem CID
- 5772620
- EC Number
- 150-312-7
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 528
Physicochemical properties
- Melting point
- 128 °C · 128 °C(Solvent: Ethanol)
- Boiling point
- 553 · 553.0±50.0 °C(Predicted)
- Density
- 1.196 · 1.196±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.
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
Ryan Scientific, Inc.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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