Octyl gallate

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Systematic / IUPAC Name: Octyl 3,4,5-trihydroxybenzoate

ID: Reference3154

Other Names: Progallin O;
n-Octyl ester of 3,4,5-trihydroxybenzoic acid;
n-Octyl gallate;
3,4,5-Trihydroxybenzoic acid octyl ester;
Benzoic acid, 3,4,5-trihydroxy, octyl ester ; more

Formula: C15H22O5

Class: Personal Care Products/Cosmetics Excipients/Additives/Colorants

Spectral Data

Octyl gallate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 97
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/22/2015 10:27:48 AM
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Identificators

InChI InChI=1S/C15H22O5/c1-2-3-4-5-6-7-8-20-15(19)11-9-12(16)14(18)13(17)10-11/h9-10,16-18H,2-8H2,1H3
InChI Key NRPKURNSADTHLJ-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O
CAS 1034011
Splash
Other Names Progallin O;
n-Octyl ester of 3,4,5-trihydroxybenzoic acid;
n-Octyl gallate;
3,4,5-Trihydroxybenzoic acid octyl ester;
Benzoic acid, 3,4,5-trihydroxy, octyl ester;
Gallic acid n-octyl ester;
Gallic acid octyl ester;
Octyl 3,4,5-tris(oxidanyl)benzoate;
Octylgallate;
E 311

In Other Databases

Wikipedia Octyl gallate
PubChem 61253
ChEBI CHEBI:83631
ChemIDPlus 001034011
HMDb HMDB33375
ChemSpider 55194