Ethyl sorbate

CAT: 0013-GTR19243170Size: 1 gDry Ice: NoHazardous: No

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CAT#:0013-GTR19243170Size:1 g

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Description

Ethyl sorbate is a flavoring agent and synthetic intermediate. It is also utilized in biochemical research, including in vitro studies on antimicrobial activity and as a substrate for enzymatic esterification reactions.

CAS Number

2396-84-1

Smiles

C (\C (OCC) =O) =C/C=C/C

Molecular Formula

C8H12O2

Molecular Weight

140.18

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ethyl sorbate

Ethyl sorbate is a fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol. It has a role as a metabolite. It is functionally related to a sorbic acid.

CAS Number	2396-84-1
PubChem CID	1550470
IUPAC Name	ethyl (2E,4E)-hexa-2,4-dienoate
Molecular Formula	C8H12O2
Molecular Weight	140.18
XLogP	1.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	145

SMILES

CCOC(=O)/C=C/C=C/C

InChI

InChI=1S/C8H12O2/c1-3-5-6-7-8(9)10-4-2/h3,5-7H,4H2,1-2H3/b5-3+,7-6+

InChIKey

OZZYKXXGCOLLLO-TWTPFVCWSA-N

Chemical Structure

2D Structure

CAS: 2396-84-1

CID: 1550470

Formula: C8H12O2

MW: 140.18

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	140.18
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	140.083729621
Monoisotopic Mass	140.083729621
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	145
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
E8570-01	ETHYL SORBATE
E14800-01	Ethyl sorbate 97%
TYD-01267-01	Sodium Sorbate
462871-01	Potassium Sorbate
IN11934-01	Calcium Sorbate
HY-W068700-01	Methyl sorbate

Ethyl sorbate

Chemical Information

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