Benzylideneacetone, 99+%

CAT: 0063-89983833Size: 500 gDry Ice: NoHazardous: No

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CAT#:0063-89983833Size:500 g

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CAS Number

1896-62-4

Chemical Information

Benzylideneacetone

Trans-benzylideneacetone is the trans-isomer of benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth. It has a role as a flavouring agent, a fragrance, an EC 3.1.1.4 (phospholipase A2) inhibitor and a bacterial metabolite.

CAS Number	1896-62-4
PubChem CID	637759
IUPAC Name	(E)-4-phenylbut-3-en-2-one
Molecular Formula	C10H10O
Molecular Weight	146.19
XLogP	2.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	152

SMILES

CC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+

InChIKey

BWHOZHOGCMHOBV-BQYQJAHWSA-N

Chemical Structure

2D Structure

CAS: 1896-62-4

CID: 637759

Formula: C10H10O

MW: 146.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	146.19
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	146.073164938
Monoisotopic Mass	146.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-W012595-01	Benzylideneacetone
MBS3608159-01	trans-Benzylideneacetone
HY-W012595R-01	Benzylideneacetone (Standard)
OR1007484-01	(3Z) -Benzylideneacetone
HY-W012595AR-01	Trans-Benzylideneacetone (Standard)
PC401022-01	2- (Trifluoromethyl) benzylideneacetone
OR322168	3,4- (Methylenedioxy) benzylideneacetone
236829-01	Cesium Chloride 99.99%
GX2903-100g	Gadolinium oxide, 99.99%

Benzylideneacetone, 99+%

Chemical Information

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