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(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one structure

CAS No:
35225-79-7
Formula:
C17H14O
Chemical Name:
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
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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Description

Yellow crystalline powder

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one Basic Attributes

Molecular Weight：

234.29

Exact Mass：

234.29

EC Number：

609-096-4

UNII：

9QXO7BCY9L

NSC Number：

623642

DSSTox ID：

DTXSID0060224

HScode：

2914399090

Characteristics

PSA：

17.1

XLogP3：

4.1

Appearance：

Yellow crystalline powder

Density：

1.1±0.1 g/cm3

Melting Point：

190-191 °C

Boiling Point：

400.7°C at 760 mmHg

Flash Point：

176.1±20.6 °C

Refractive Index：

1.650

Water Solubility：

Soluble in chloroform, acetone, alcohol (slightly), and hot methanol. Insoluble in water.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|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.

Drug Information

MeSH Entry Terms：

dibenzalacetone

(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one Use and Manufacturing

Uses

Reactant involved in:• ;Nazarov-like cyclization1• ;Transfer hydrogenation2• ;Lewis acid mediated condensation3• ;Hetero-Diels-Alder reactions4• ;Asymmetric 1,4-addition reactions5• ;Michael addition reactions6

Manufacturing Info：

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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Guide of (1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
Latest News
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(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one

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