Dodecyl Gallate
PubChem CID: 14425
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| Compound Synonyms | Dodecyl gallate, Lauryl gallate, 1166-52-5, Dodecyl 3,4,5-trihydroxybenzoate, Nipagallin LA, Progallin LA, BENZOIC ACID, 3,4,5-TRIHYDROXY-, DODECYL ESTER, n-Dodecyl gallate, Gallic acid, dodecyl ester, n-dodecylgallate, Gallic acid, lauryl ester, Lauryl 3,4,5-trihydroxybenzoate, Dodecylester kyseliny gallove, CCRIS 5568, GALLIC ACID LAURYL ESTER, Gallic acid n-dodecyl ester, EINECS 214-620-6, NSC 133463, BRN 2701981, DTXSID0048189, UNII-45612DY463, Gallic acid-dodecyl ester, MFCD00002195, NSC-133463, E312, Gallic acid, n-dodecyl ester, CHEMBL16121, INS NO.312, Lauryl Gallate(Dodecyl Gallate), 3,4,5-Trihydroxybenzoic acid, dodecyl ester, DODECYL GALLATE [MART.], DTXCID5028164, INS-312, Dodecyl-3,4,5-trihydroxybenzoate, 4-10-00-02006 (Beilstein Handbook Reference), DODECYL ESTER OF GALLIC ACID, NSC133463, DODECYL GALLATE [EP MONOGRAPH], 45612DY463, E-312, Gallic Acid Dodecyl Ester, antioxidant E 312, antioxidant E-312, E 312 antioxidant, E-312 antioxidant, DODECYL GALLATE (MART.), N-DODECYL (OR LAURYL) ESTER OF 3,4,5-TRIHYDROXYBENZOIC ACID, DODECYL GALLATE (EP MONOGRAPH), CAS-1166-52-5, Dodecylester kyseliny gallove [Czech], dodecylgallat, Dodecyl 3, Dodecyl gallic acid, N-Dodecylgallic acid, 45-Trihydroxybenzoate, 45-Trihydroxybenzoic acid, Dodecyl gallate (Standard), SCHEMBL36820, 149030-04-6, BIDD:ER0314, Lauryl 3,5-trihydroxybenzoate, DODECYL GALLATE [INCI], WLN: QR BQ CQ EVO12, CHEBI:175304, Gallic acid, dodecyl ester (8CI), BCP15874, Tox21_202724, Tox21_303487, BDBM50093887, s6229, AKOS001482340, Dodecyl 3,4,5-trihydroxybenzoic acid, dodecyl 3,4,5-tris(oxidanyl)benzoate, FL33333, GS-3008, HY-124082R, NCGC00257297-01, NCGC00260272-01, SY048252, DB-108599, HY-124082, 3,4,5-Trihydroxy-benzoic acid dodecyl ester, Benzoic acid,4,5-trihydroxy-, dodecyl ester, CS-0084125, G0015, Lauryl gallate, analytical reference material, NS00013651, D70249, Lauryl gallate, antioxidant, >=99.0% (HPLC), A803659, Dodecyl gallate, Dodecyl 3,4,5-trihydroxybenzoate, Q418209, 3,4,5-TRIHYDROXYBENZOIC ACID DODECYL ESTER, Dodecyl gallate, European Pharmacopoeia (EP) Reference Standard |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Description | Antioxidant used in foods especies oil, fats, cheeses and mashed potato. Permitted for use in margarine in USA. Possesses same antioxidant effects as propyl gallate but incr. alkyl chain length gives rise to greater fat solubility |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P52020, n.a., P10275, Q16236, Q03181, P04792, P19838, P05412 |
| Iupac Name | dodecyl 3,4,5-trihydroxybenzoate |
| Prediction Hob | 0.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 5.8 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Molecular Formula | C19H30O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RPWFJAMTCNSJKK-UHFFFAOYSA-N |
| Fcsp3 | 0.631578947368421 |
| Logs | -3.55 |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Logd | 3.652 |
| Synonyms | 3,4,5-Trihydroxybenzoic acid, dodecyl ester, 5-Trihydroxybenzoic acid, antioxidant E 312, antioxidant E-312, Benzoic acid, 3,4,5-trihydroxy-, dodecyl ester, Dodecyl 3,4,5-trihydroxybenzoate, Dodecyl gallate, Dodecyl-3,4,5-trihydroxybenzoate, Dodecylester kyseliny gallove, E 312 antioxidant, E-312 antioxidant, E312, Gallic acid lauryl ester, Gallic acid, dodecyl ester, Gallic acid, dodecyl ester (8CI), Gallic acid, lauryl ester, Lauryl 3,4,5-trihydroxybenzoate, Lauryl gallate, N-dodecyl gallate, N-Dodecylgallic acid, Nipagallin la, Progallin la, Dodecyl gallic acid, e312, N-Dodecylgallate, Dodecyl 3, 45-Trihydroxybenzoate, 45-Trihydroxybenzoic acid, Antioxidant e 312, Antioxidant e-312, e 312 Antioxidant, e-312 Antioxidant, Gallic acid, dodecyl ester (8ci), N-Dodecyl gallate, Dodecyl 3,4,5-trihydroxybenzoic acid |
| Substituent Name | Galloyl ester, Benzoate ester, Pyrogallol derivative, Benzylether, Benzenetriol, 1,2-diphenol, Benzoyl, Phenol, Polyol, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Dodecyl Gallate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.209 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -4.9382528 |
| Inchi | InChI=1S/C19H30O5/c1-2-3-4-5-6-7-8-9-10-11-12-24-19(23)15-13-16(20)18(22)17(21)14-15/h13-14,20-22H,2-12H2,1H3 |
| Smiles | CCCCCCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Galloyl esters |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all