3,3-Diphenylacrolein

HCID 71027CAS 1210-39-5
Substructure searchFind similar structures

Basic information

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 properties

XLogP
3.7
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
16

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

Safety & regulation

GHS classification

GHS Classification · 4 items

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

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Propenal, 3,3-diphenyl-: INACTIVE

Upstream & downstream products

Suppliers50 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]

Related reactions

22 records
New reaction record

Linked notes

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