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
Octyl gallate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Wikipedia | Octyl gallate |
PubChem | 61253 |
ChEBI | CHEBI:83631 |
ChemIDPlus | 001034011 |
HMDb | HMDB33375 |
ChemSpider | 55194 |