Bis[4-(2-prop-1-en-2-ylphenoxy)phenyl]methanone
Basic information
- CAS
109423-33-8- Standard SMILES
C=C(C)c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3C(=C)C)cc2)cc1- InChIKey
ITWCXZCMONNXLE-UHFFFAOYSA-N- Molecular formula
- C31H26O3
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.18819469
Names & identifiers
- Preferred name
- Bis[4-(2-prop-1-en-2-ylphenoxy)phenyl]methanone
- IUPAC
- bis[4-(2-prop-1-en-2-ylphenoxy)phenyl]methanone
- English name
- 4,4'-Bis[2-(1-propenyl)phenoxy]benzophenone
- Molecular formula
- C31H26O3
- Molecular weight
- 446.54
Names & synonyms
AKOS0159157084,4'-bis-(o-Propenylphenoxy)-benzophenone4,4'-Bis[2-(1-propenyl)phenoxy]benzophenonebis[4-(2-prop-1-enylphenoxy)phenyl]methanonebis[4-[2-(1-propenyl)phenoxy]phenyl]-methanon4,4'-bis-[2-(1-propen-1-yl)phenoxy]benzophenoneMethanone, bis(4-(2-(1-propenyl)phenoxy)phenyl)-Methanone, bis(4-(2-(1-propen-1-yl)phenoxy)phenyl)-4,4-Bis[2-(1-propenyl)phenoxy]benzophenone,mixture of cis and trans4,4'-Bis[2-(1-propenyl)phenoxy]benzophenone, mixture of cis and trans 97%4,4'-BIS(2-(1-PROPENYL)PHENOXY)BENZO-PHE NONE, 97%, MIXTURE OF CIS AND TRANS
Database identifiers
- CAS
109423-33-8- PubChem CID
- 86292
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 637
Physicochemical properties
- Melting point
- 43 · 43-45 °C(lit.)
- Boiling point
- 576.6 · 576.6±50.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- InChI
- 1S/C31H26O3/c1-3-9-23-11-5-7-13-29(23)33-27-19-15-25(16-20-27)31(32)26-17-21-28(22-18-26)34-30-14-8-6-12-24(30)10-4-2/h3-22H,1-2H3/b9-3+,10-4+
- InChIKey
- JRZSSQRNBKDVDD-LQIBPGRFSA-N
- SMILES
- C\C=C\c1ccccc1Oc2ccc(cc2)C(=O)c3ccc(Oc4ccccc4\C=C\C)cc3
- EPA Substance Registry System
- 4 · Methanone, bis[4-[2-(1-propenyl)phenoxy]phenyl]- (109423-33-8)
- UNSPSC Code
- 12162002 · 12162002
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P305+P351+P338
Suppliers
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Compound notes
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