Ethyl Gallate

CAT: 1596-AR-G02885-04Size: 250 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-G02885-04Size:250 Units

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CAS Number

831-61-8

Synonyms

Ethyl 3,4,5-trihydroxybenzoate

Molecular Formula

C9H10O5

Molecular Weight

198.2

API Name

Gallic Acid

Chemical Information

Ethyl gallate

Ethyl gallate is a gallate ester obtained by the formal condensation of gallic acid with ethanol. It has a role as a plant metabolite.

CAS Number	831-61-8
PubChem CID	13250
IUPAC Name	ethyl 3,4,5-trihydroxybenzoate
Molecular Formula	C9H10O5
Molecular Weight	198.17
XLogP	1.3
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

CCOC(=O)C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C9H10O5/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,10-12H,2H2,1H3

InChIKey

VFPFQHQNJCMNBZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 831-61-8

CID: 13250

Formula: C9H10O5

MW: 198.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.17
XLogP3	1.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	198.05282342
Monoisotopic Mass	198.05282342
Topological Polar Surface Area	87 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-G01073-01	Propyl Gallate
AR-P29916-01	Methyl Gallate
AR-C06426-01	(-) -Epicatechin Gallate
AR-C01604-01	(-) -Epigallocatechin Gallate
AR-G02020-01	(-) -Epigallocatechin Gallate Sulfate A
AR-C01606-01	(-) -Epigallocatechin Gallate-d4
AR-C01620-01	(-) -Epigallocatechin Gallate Sulfate A
AR-G02023-01	(-) -Epigallocatechin Gallate Sulfate D
AR-G02021-01	(-) -Epigallocatechin Gallate Sulfate B
AR-G02022-01	(-) -Epigallocatechin Gallate Sulfate C

Catalog	Name
T3729-01	Ethyl gallate
A15741-1000	Ethyl gallate 1g
A15741-500	Ethyl gallate 500mg
HY-N0525R-01	Ethyl gallate (Standard)
E10140-01	Ethyl gallate 97%
A15741-100	Ethyl gallate 100mg
A15741-10mM-D	Ethyl gallate 10mM * 1mL in DMSO
DD1261	Dodecyl gallate (Lauryl gallate)