3,3-Diphenylacrolein
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Basic information
- CAS
1210-39-5- Standard SMILES
O=CC=C(c1ccccc1)c1ccccc1- InChIKey
MWAFWBDWAWZJGK-UHFFFAOYSA-N- Molecular formula
- C15H12O
- Average molar mass
- 208.25 g/mol
- Monoisotopic mass
- 208.088815
Names & identifiers
- Preferred name
- 3,3-Diphenylacrolein
- IUPAC
- 3,3-diphenylprop-2-enal
- English name
- BETA-PHENYLCINNAMALDEHYDE
- Molecular formula
- C15H12O
- Molecular weight
- 208.26
Names & synonyms
3,3-Diphenylacrylaldehyde1210-39-5beta-Phenylcinnamaldehyde3,3-Diphenylacrolein2-Propenal, 3,3-diphenyl-Acrolein, 3,3-diphenyl-beta,beta-Diphenylacrolein2-Propenal,3,3-diphenyl-DTXSID2049210UT7JVZ5FZQ3,3-diphenyl-2-propenal.beta.-Phenylcinnamaldehyde
Show more names
Phenylcinnamaldehyde-Phenylcinnamaldehydeβ-Phenylcinnamaldehyde3,3-di(phenyl)prop-2-enal3,3-diphenyl-1-propen-1-one5-CHLOROMETHYL-5-OXAZOLIDINONEβ-Phenylcinnamaldehyde, CAS 1210-39-5Benzenepropanoicacid,8-chloro-β-oxo-,ethylester
.beta.,.beta.-DiphenylacroleinEINECS 214-913-9NSC 87895NSC-87895DTXCID4029066RefChem:485618214-913-93-PHENYLCINNAMALDEHYDE
Database identifiers
- CAS
1210-39-5- PubChem CID
- 71027
- DTXSID
DTXSID2049210- ChEMBL
CHEMBL3182992- UNII
- UT7JVZ5FZQ
- EC Number
- 214-913-9
- Nikkaji
- J56.230K
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 222
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 44 · 44-46 °C(lit.)
- Boiling point
- 195 · 195-200 °C17 mm Hg(lit.)
- Density
- 1.072 · 1.072±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- solid
- Appearance
- White to yellow Solid
- InChI
- 1S/C15H12O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
- InChIKey
- MWAFWBDWAWZJGK-UHFFFAOYSA-N
- SMILES
- O=C\C=C(\c1ccccc1)c2ccccc2
- FDA UNII
- 7 JVZ5FZQ · UT7JVZ5FZQ
- EPA Substance Registry System
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 43-51/53
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N
- safety_code
- 36/37-61
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317
- Hazard Classifications
- Skin Sens. 1
- Precautionary statements
- P280
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Propenal, 3,3-diphenyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
22 records
Compound notes
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