(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
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(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
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CAS No:
35225-79-7
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Formula:
C17H14O
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Chemical Name:
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
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Synonyms:
1,4-Pentadien-3-one,1,5-diphenyl-,(1E,4E)-;1,4-Pentadien-3-one,1,5-diphenyl-,(E,E)-;(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one;trans,trans-1,5-Diphenylpenta-1,4-dien-3-one;trans,trans-Dibenzylideneacetone;(E,E)-1,5-Diphenylpenta-1,4-dien-3-one;trans,trans-Dibenzalacetone;(E,E)-Dibenzylideneacetone;Bis((E)-2-phenylethenyl) ketone;(E,E)-1,5-Diphenyl-1,4-pentadien-3-one
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CAS No:
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one Basic Attributes
234.29
234.29
609-096-4
9QXO7BCY9L
623642
DTXSID0060224
2914399090
Characteristics
17.1
4.1
Yellow crystalline powder
1.1±0.1 g/cm3
190-191 °C
400.7°C at 760 mmHg
176.1±20.6 °C
1.650
Soluble in chloroform, acetone, alcohol (slightly), and hot methanol. Insoluble in water.
Safety Information
NONH for all modes of transport
3
S22-S24/25
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H317 (98.11%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P272, P273, P280, P302+P352, P321, P333+P313, P363, P391, and P501|Aggregated GHS information provided by 159 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one Use and Manufacturing
Reactant involved in:• ;Nazarov-like cyclization1• ;Transfer hydrogenation2• ;Lewis acid mediated condensation3• ;Hetero-Diels-Alder reactions4• ;Asymmetric 1,4-addition reactions5• ;Michael addition reactions6
1,4-Pentadien-3-one, 1,5-diphenyl-: ACTIVE
Computed Properties
Molecular Weight:234.29
XLogP3:4.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:234.104465066
Monoisotopic Mass:234.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:18
Complexity:272
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
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