1,9-Diphenylnona-1,3,6,8-tetraen-5-one

HCID 101802

Notes Reactions

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Basic information

CAS: 622-21-9
Standard SMILES: O=C(C=CC=Cc1ccccc1)C=CC=Cc1ccccc1
InChIKey: RLJALOQFYHCJKG-UHFFFAOYSA-N
Molecular formula: C21H18O
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.13576519

Overview

See also: 1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl- (annotation moved to).

Names & identifiers

Preferred name: 1,9-Diphenylnona-1,3,6,8-tetraen-5-one
IUPAC: 1,9-diphenylnona-1,3,6,8-tetraen-5-one
English name: 1,9-Diphenyl-1,3,6,8-nonatetraen-5-one
Molecular formula: C21H18O
Molecular weight: 286.37

Names & synonyms

1,9-Diphenylnona-1,3,6,8-tetraen-5-oneRefChem:417958210-724-0622-21-9C21H18ODicinnamylidenacetonSCHEMBL243734DTXSID8060747RLJALOQFYHCJKG-UHFFFAOYSA-NDB-0540951.9-Diphenyl-1.3.6.8-nonatetraen-5-oneNS00034966

Show more names

DICINNAMALACETONE(1E,3E,6E,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-oneDicinnamaL1,9-DIPHENYL-1,3,6,8Dicinnamalacetone >Dicinnamalacetone 98%DICINNAMYLIDENEACETONE6,8-nonatetraen-5-one,1,9-diphenyl-31,9-Diphenyl-1,3,6,8-nonatetraen-5-one

Database identifiers

CAS: 622-21-9
PubChem CID: 101802
DTXSID: DTXSID8060747
EC Number: 210-724-0

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 22
Formal charge: 0
Complexity: 387

Physicochemical properties

Melting point: 144 · 144-145 °C (lit.)
Boiling point: 388.73 °C · 388.73°C (rough estimate)
Density: 1.0402 · 1.0402 (rough estimate)
refractive index: 1.488 · 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 · 622-21-9(CAS DataBase Reference)
EPA Substance Registry System: 1 · 1,3,6,8-Nonatetraen-5-one, 1,9-diphenyl- (622-21-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 29141990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

UsesDicinnamalacetone 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).

Suppliers56 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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Compound notes

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