Compound: Ethylparaben
SMILES: O=C(OCC)c1ccc(O)cc1
InChIKey: NUVBSKCKDOMJSU-UHFFFAOYSA-N
Synonyms: Ethylparaben, ETHYL 4-HYDROXYBENZOATE, 120-47-8, Ethyl paraben, Ethyl p-hydroxybenzoate, Tegosept E, Mycocten, Ethyl parasept, 4-Hydroxybenzoic acid ethyl ester, Aseptoform E, Nipagin A, Easeptol, Ethyl parahydroxybenzoate, Ethyl butex, Napagin A, Nipazin A, Solbrol A, Sobrol A, p-Hydroxybenzoic acid ethyl ester, Ethyl p-oxybenzoate, Bonomold OE, p-Carbethoxyphenol, Benzoic acid, 4-hydroxy-, ethyl ester, Ethyl-p-hydroxybenzoate, Mekkings E, Aseptin A, Ethyl hydroxybenzoate, Carbethoxyphenol, p-Oxybenzoesaeureaethylester, p-Hydroxybenzoate ethyl ester, Benzoic acid, p-hydroxy-, ethyl ester, DTXSID9022528, Ins no.214, E214, Ethylester kyseliny p-hydroxybenzoove, Ins-214, NSC-23514, Ethyl parahydroxybenzoate e214, Ethylis hydroxybenzoas, E-214, 14255EXE39, p-Hydroxybenzoic ethyl ester, DTXCID002528, CHEBI:31575, RefChem:921321, 204-399-4, Ethyl para-hydroxybenzoate, Ethyl-4-hydroxybenzoate, 4-(Ethoxycarbonyl)phenol, 4-Hydroxy-benzoic acid ethyl ester, 4-Carbethoxyphenol, NSC 23514, Ethylparaben [NF], 4-Hydroxybenzoic acid, ethyl ester, Para-hydroxybenzoic acid ethyl ester, MFCD00002353, Ester etylowykwasu p-hydroksybenzoesowego, 4-hydroxybenzoic acid-ethyl ester, Ethylparaben (NF), NCGC00160654-01, ethyl-paraben, WLN: QR DVO2, Caswell No. 447, p-Hydroxybenzoic acid, ethyl ester, 4-Hydroxybenzoic acid-ethyl ester 1000 microg/mL in Acetonitrile, CAS-120-47-8, HSDB 938, EINECS 204-399-4, p-Oxybenzoesaeureaethylester [German], EPA Pesticide Chemical Code 061202, BRN 1101972, Ethyl chemosept, AI3-30960, Aseptine a, Nipagina A, Ethylester kyseliny p-hydroxybenzoove [Czech], UNII-14255EXE39, Ester etylowykwasu p-hydroksybenzoesowego [Polish], Ethyl p-hydroxbenzoate, Methyldopa Impurity 1, Ethylparaben (Standard), Ethyl 4-hydroxy-benzoate, ETHYLPARABEN [II], ETHYLPARABEN [MI], Ethyl 4-hydroxyl-benzoate, Ethylparaben, INN, USAN, bmse010255, EC 204-399-4, ETHYLPARABEN [HSDB], SCHEMBL28368, Ethyl parahydroxybenzoate CRS, 4-10-00-00367 (Beilstein Handbook Reference), BIDD:ER0023, CHEMBL15841, ETHYLPARABEN [USP-RS], orb1310250, orb3139640, SCHEMBL2458641, ethyl 4-hydroxybenzenecarboxylate, SCHEMBL11773691, SCHEMBL27883668, SCHEMBL28748274, HY-B0934R, MSK2510, NSC8510, Ethyl parahydroxybenzoate (JP18), HMS2091E17, HMS5083P05, Parahydroxybenzoic acid ethyl ester, Pharmakon1600-01400151, 4-hydroxy benzoic acid ethyl ester, HY-B0934, NSC-8510, NSC23514, Tox21_111961, Tox21_300335, BBL012166, BDBM50428380, EBC-03339, NSC755851, s4525, SBB038536, STK070911, ETHYL HYDROXYBENZOATE [MART.], AKOS000120512, Catalase from bovine liver(Suspension), ETHYL HYDROXYBENZOATE [WHO-DD], ETHYL HYDROXYBENZOATE [WHO-IP], Tox21_111961_1, CCG-213682, CS-4403, DB13628, ETHYL PARAHYDROXYBENZOATE [JAN], FE23063, NSC-755851, NCGC00160654-02, NCGC00160654-03, NCGC00160654-04, NCGC00160654-06, NCGC00254462-01, AC-11586, AC-34532, AS-11988, DA-73229, NCI60_041866, SBI-0206674.P002, ETHYL ESTER OF P-HYDROXYBENZOIC ACID, E0884, ETHYLIS HYDROXYBENZOAS [WHO-IP LATIN], H0211, NS00008316, ST50210582, EN300-16106, D01647, Ethyl 4-hydroxybenzoate, ReagentPlus(R), 99%, ETHYL PARAHYDROXYBENZOATE [EP IMPURITY], ETHYL PARAHYDROXYBENZOATE [EP MONOGRAPH], W18471, AB00375765_03, AE-646/31213037, F209419, Q229976, SR-05000001552, SR-05000001552-1, BRD-K02464583-001-01-4, BRD-K02464583-001-02-2, Ethyl 4-hydroxybenzoate, SAJ first grade, >=99.0%, PROPYL HYDROXYBENZOATE IMPURITY C [EP IMPURITY], Z53833636, Ethyl 4-hydroxybenzoate, Vetec(TM) reagent grade, 99%, Ethylparaben, certified reference material, TraceCERT(R), F0728-0009, METHYL PARAHYDROXYBENZOATE IMPURITY B [EP IMPURITY], Ethyl 4-Hydroxybenzoate; Propyl Parahydroxybenzoate EP Impurity C, Ethylparaben, United States Pharmacopeia (USP) Reference Standard, Ethyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard, Ethylparaben, Pharmaceutical Secondary Standard; Certified Reference Material, InChI=1/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H, E4B
Theoretical properties:
molecular_formula: C9H10O3
molecular_weight: 166.17 g/mol
exact_mass: 166.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 12
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Small, colorless crystals or powder at room temperature
color: Small, colorless crystals or powder at room temperature
odor: Odorless
boiling_point: 297-298 °C (decomposition)
melting_point: ofp-hydroxybenzoic acid isolated by acidification and not recrystallised: 213 °C to 217 °C, after vacuum drying in a sulphuric acid desiccator
solubility: In water, 8.85X10+2 mg/L at 25 °C
vapor_pressure: 0.0000929 [mmHg]
Descriptions:
pubchem: Ethylparaben is an ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol. It has a role as an antifungal agent, an antimicrobial food preservative, a plant metabolite and a phytoestrogen. It is an ethyl ester and a paraben.
chebi: An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol,
chembl: ETHYLPARABEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Ethylparaben (ethyl para-hydroxybenzoate) is the ethyl ester of p-hydroxybenzoic acid. Its formula is HO-C6H4-CO-O-CH2CH3. It is a member of the class of compounds known as parabens.
It is used as an antifungal preservative. As a food additive, it has E number E214.
Sodium ethyl para-hydroxybenzoate, the sodium salt of ethylparaben, has the same uses and is given the E number E215.