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622-21-9

622-21-9 Structure

622-21-9 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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 DetailBack 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 InformationBack 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)
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622-21-9