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Propyl gallate

CAT: 0957-S5113-02Size: 1 gDry Ice: YesHazardous: No
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Description
Propyl gallate (Gallic acid propyl esterZ, n-Propyl gallate) is an antioxidant used in foods especially animal fats and vegetable oils, also in a wide variety of cosmetics and beauty care products.
CAS Number
121-79-9
Synonyms
Gallic acid propyl esterZ, n-Propyl gallate
Target
PPAR
Activity
DNA Damage/DNA Repair
Molecular Formula
C10H12O5
Storage Conditions
2 years -80 in solvent

Chemical Information

Propyl Gallate

N-propyl gallate is a trihydroxybenzoic acid.

CAS Number121-79-9
PubChem CID4947
IUPAC Namepropyl 3,4,5-trihydroxybenzoate
Molecular FormulaC10H12O5
Molecular Weight212.20
XLogP1.8
Topological Polar Surface Area87
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity206
SMILES
CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
InChI
InChI=1S/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
InChIKey
ZTHYODDOHIVTJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propyl Gallate
CAS: 121-79-9
CID: 4947
Formula: C10H12O5
MW: 212.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.20
XLogP31.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass212.06847348
Monoisotopic Mass212.06847348
Topological Polar Surface Area87 Ų
Heavy Atom Count15
Formal Charge0
Complexity206
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
AB3358Propyl gallate

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