Propyl gallate

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

ID: Reference2638

Other Names: Nipagallin P;
Nipanox S 1;
Progallin P;
Tenox PG;
3,4,5-Trihydroxybenzene-1-propylcarboxylate ; more

Formula: C10H12O5

Class: Extractables/Leachables Excipients/Additives/Colorants Personal Care Products/Cosmetics Industrial Chemicals

Spectral Data

Propyl 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 5
No. of Spectra 562
Tandem Spectra MS1, MS2
Ionization Methods ESI; APCI
Analyzers FT
Last Modification 3/29/2018 8:26:28 AM
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Identificators

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
InChI Key ZTHYODDOHIVTJV-UHFFFAOYSA-N
Canonical SMILES CCCOC(=O)C1=CC(=C(C(=C1)O)O)O
CAS 121799
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Other Names Nipagallin P;
Nipanox S 1;
Progallin P;
Tenox PG;
3,4,5-Trihydroxybenzene-1-propylcarboxylate;
3,4,5-Trihydroxybenzoic acid n-propyl ester;
3,4,5-Trihydroxybenzoic acid propyl ester;
Benzoic acid, 3,4,5-trihydroxy-, propyl ester;
Gallic acid propyl ester;
Gallic acid, n-propyl ester;
n-Propyl ester of 3,4,5-trihydroxybenzoic acid;
n-Propyl gallate;
n-Propyl-3,4,5-trihydroxybenzoate

In Other Databases

ChEMBL CHEMBL7983
Wikipedia Propyl gallate
KEGG C11155; D02382
HMDb HMDB33835
ChemSpider 4778
PubChem 4947
ChemIDPlus 000121799