| Identification | More | [Name]
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE | [CAS]
622-21-9 | [Synonyms]
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE
DICINNAMALACETONE
DICINNAMYLIDENEACETONE
6,8-nonatetraen-5-one,1,9-diphenyl-3
1,9-diphenylnona-1,3,6,8-tetraen-5-one | [EINECS(EC#)]
210-724-0 | [Molecular Formula]
C21H18O | [MDL Number]
MFCD00004792 | [Molecular Weight]
286.37 | [MOL File]
622-21-9.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow powder | [Melting point ]
144-145 °C (lit.) | [Boiling point ]
388.73°C (rough estimate) | [density ]
1.0402 (rough estimate) | [refractive index ]
1.4880 (estimate) | [form ]
powder to crystal | [color ]
Light yellow to Yellow to Orange | [InChI]
1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+ | [InChIKey]
RLJALOQFYHCJKG-FVRNMFRHSA-N | [SMILES]
O=C(\C=C\C=C\c1ccccc1)/C=C/C=C/c2ccccc2 | [CAS DataBase Reference]
622-21-9(CAS DataBase Reference) | [EPA Substance Registry System]
1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl- (622-21-9) |
| Safety Data | Back Directory | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [TSCA ]
Yes | [HS Code ]
29141990 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
yellow powder | [Uses]
Dicinnamalacetone was used as an indicator in measuring the surface acidity of homoionic montmorillonites by titrating certain Hammett indicators adsorbed on the clay with n-butylamine. It was also used as an indicator (yellow to bright red) for detection of excess hydrogen halides in many organic solvents (except alcohols). | [Purification Methods]
Crystallise the ketone from *benzene/isooctane (1:1). The 1,3,5-trinitrobenzene complex (1:1) has m 113o (from EtOH), and the 1,3,5-trinitrobenzene complex (1:2) has m 110o (from EtOH). [Beilstein 7 H 524, 7 I 293, 7 II 484, 7 III 2756, 7 IV 1834.] The 2,4-dinitrophenylhydrazone has m 199-200o. |
| Spectrum Detail | Back Directory | [Spectrum Detail]
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9)MS
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9)1HNMR
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9)13CNMR
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9)IR1
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9)IR2
1,9-DIPHENYL-1,3,6,8-NONATETRAEN-5-ONE(622-21-9)Raman
|
| Well-known Reagent Company Product Information | Back Directory | [Acros Organics]
1,9-Diphenyl-1,3,6,8-nonatetraen-5-one, 97%(622-21-9) | [Alfa Aesar]
1,9-Diphenyl-1,3,6,8-nonatetraen-5-one, 98%(622-21-9) | [Sigma Aldrich]
622-21-9(sigmaaldrich) | [TCI AMERICA]
Dicinnamalacetone(622-21-9) |
|
|