Compound: propyl gallate
SMILES: O=C(OCCC)c1cc(O)c(O)c(c1)O
InChIKey: ZTHYODDOHIVTJV-UHFFFAOYSA-N
Synonyms: propyl gallate, 121-79-9, Propyl 3,4,5-trihydroxybenzoate, N-Propyl gallate, Progallin P, Gallic acid, propyl ester, Tenox PG, Nipagallin P, Gallic acid propyl ester, NIPA 49, Benzoic acid, 3,4,5-trihydroxy-, propyl ester, FEMA No. 2947, n-Propyl 3,4,5-trihydroxybenzoate, Propylester kyseliny gallove, 3,4,5-Trihydroxybenzene-1-propylcarboxylate, Gallate, Propyl, n-Propyl ester of 3,4,5-trihydroxybenzoic acid, Nipanox S 1, NSC 2626, NCI-C505888, 3,4,5-Trihydroxybenzoic acid, propyl ester, 3,4,5-Trihydroxybenzoic acid n-propyl ester, NSC-2626, Propyl gallate (e 310), 8D4SNN7V92, INS NO.310, E310, AI3-17136, INS-310, NSC2626, Anhydrous propyl gallate (e 310), E-310, RefChem:176492, 3,4,5-TRIHYDROXYBENZOIC ACID, N-PROPYL ESTER, 204-498-2, 3,4,5-Trihydroxybenzoic acid propyl ester, Gallic acid n-propyl ester, MFCD00002196, Gallic acid-propyl ester, DTXSID5021201, Propyl gallate (NF), Propyl gallate [NF], CHEMBL7983, Gallic acid, n-propyl ester, NCGC00164234-01, DTXCID901201, Pro gallin P, CAS-121-79-9, CCRIS 541, HSDB 591, n-Propyl-3,4,5-Trihydroxybenzoate, EINECS 204-498-2, Propylester kyseliny gallove [Czech], UNII-8D4SNN7V92, Propylgallate, propyl-gallate, Propyl galiate, n-propyl-gallate, Sustane PG, Propyl gallate, powder, Propyl gallate, 98%, 3,4,5-Trihydroxy-benzoic acid propyl ester, Propyl gallate (Standard), PROPYL GALLATE [II], PROPYL GALLATE [MI], Oprea1_580415, SCHEMBL22630, CBDivE_013134, PROPYL GALLATE [FCC], 56274-95-4, BIDD:ER0334, Propyl 3,5-trihydroxybenzoate, PROPYL GALLATE [FHFI], PROPYL GALLATE [HSDB], WLN: QR BQ CQ EVO3, PROPYL GALLATE [VANDF], Gallic acid propyl ester , PG, orb1303372, orb3025155, PROPYL GALLATE [MART.], PROPYL GALLATE [USP-RS], PROPYL GALLATE [WHO-DD], CHEBI:10607, FEMA 2947, HY-N0524R, n-Propyl 3,5-trihydroxybenzoate, Propyl gallate, >=98%, FCC, MSK2308, HMS5084F07, NCI-C50588, HY-N0524, Tox21_113531, Tox21_202286, Tox21_300060, BDBM50032154, s5113, SBB060377, PROPYL GALLATE [EP MONOGRAPH], AKOS001603853, CCG-207932, DB12450, EBC-439046, FP32547, NCGC00164234-02, NCGC00164234-03, NCGC00164234-04, NCGC00254138-01, NCGC00259835-01, 3,5-Trihydroxybenzene-1-propylcarboxylate, 3,5-Trihydroxybenzoic acid, propyl ester, AC-11365, AC-34485, AS-11986, NCI60_002094, Propyl gallate, USP, 98.0-102.0%, SY020323, DB-003766, DB-327302, Benzoic acid,4,5-trihydroxy-, propyl ester, CS-0009059, EU-0036319, G0018, NS00013163, ST50307922, n-Propyl ester of 3,5-trihydroxybenzoic acid, D02382, E80666, Propyl gallate, antioxidant, >=98.0% (HPLC), F216645, Q608726, SR-01000944710, Propyl gallate, for microscopy, >=98.0% (HPLC), SR-01000944710-1, EFFF5FFA-651C-4DE3-A25F-D807C65D5537, N-PROPYL ESTER OF 3,4,5- TRIHYDROXYBENZOIC ACID, Propyl gallate, European Pharmacopoeia (EP) Reference Standard, Propyl gallate, United States Pharmacopeia (USP) Reference Standard, Propyl gallate, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H
Theoretical properties:
molecular_formula: C10H12O5
molecular_weight: 212.20 g/mol
exact_mass: 212.06847348 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 4
heavy_atom_count: 15
topological_polar_surface_area: 87 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White to creamy-white crystalline powder
color: White to creamy-white crystalline powder
odor: Odorless
boiling_point: Decomposes (NTP, 1992)
melting_point: 302 °F (NTP, 1992)
density: 1.21 (NTP, 1992) - Denser than water; will sink
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
flash_point: 368 °F (NTP, 1992)
Descriptions:
pubchem: N-propyl gallate is a trihydroxybenzoic acid.
chembl: PROPYL GALLATE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 1.0.
wikipedia: Propyl gallate, or propyl 3,4,5-trihydroxybenzoate, is an ester formed by the condensation of gallic acid and propanol. Since 1948, this antioxidant has been added to foods containing oils and fats to prevent oxidation.  As a food additive, it is used under the E number E310.