Compound: Methyl 4-hydroxybenzoate
SMILES: O=C(OC)c1ccc(O)cc1
InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N
Synonyms: Methyl 4-hydroxybenzoate, METHYLPARABEN, 99-76-3, Methyl paraben, Methyl p-hydroxybenzoate, Nipagin, Tegosept M, Moldex, Methyl parahydroxybenzoate, Maseptol, p-Hydroxybenzoic acid methyl ester, Preserval M, Preserval, Metaben, Methaben, Metoxyde, Paridol, Solbrol, Septos, Methyl parasept, 4-Hydroxybenzoic acid methyl ester, Methyl butex, Methyl chemosept, p-Methoxycarbonylphenol, p-Carbomethoxyphenol, Nipagin M, Methylben, Abiol, Benzoic acid, 4-hydroxy-, methyl ester, Solbrol M, Methyl-p-hydroxybenzoate, Aseptoform, Methyl p-oxybenzoate, 4-(Methoxycarbonyl)phenol, FEMA No. 2710, p-Hydroxybenzoic methyl ester, p-Oxybenzoesauremethylester, Methyl ester of p-hydroxybenzoic acid, Killitol, Benzoic acid, p-hydroxy-, methyl ester, Methylparaben e218, Methyl paraben (e218), NSC-3827, A2I8C7HI9T, Methylester kyseliny p-hydroxybenzoove, NSC-406127, INS NO.218, DTXSID4022529, Methylis hydroxybenzoas, INS-218, DTXCID402529, E-218, CHEBI:31835, NSC3827, E218, RefChem:6467, isLeaf Tattoo Eyebrow Brown, isLeaf Long Lasting Waterproof Eyeliner Black, isLeaf Long Lasting Waterproof Eyeliner Brown, 202-785-7, 4-Hydroxybenzoic acid, methyl ester, MFCD00002352, methyl-4-hydroxybenzoate, methyl 4- hydroxybenzoate, NSC 3827, p-Hydroxybenzoic acid, methyl ester, 4-HYDROXY-BENZOIC ACID METHYL ESTER, CHEMBL325372, 4-Hydroxybenzoic acid-methyl ester, NCGC00159376-02, NCGC00159376-04, WLN: QR DVO1, Methylparaben [USAN], Metagin, Caswell No. 573PP, FEMA Number 2710, 4-Hydroxybenzoic acid-methyl ester 1000 microg/mL in Acetonitrile, CAS-99-76-3, SMR000036660, Methyl 4-?Hydroxybenzoate(Methyl Paraben), CCRIS 3946, HSDB 1184, p-Oxybenzoesauremethylester [German], EINECS 202-785-7, Methylparaben [USAN:NF], UNII-A2I8C7HI9T, EPA Pesticide Chemical Code 061201, BRN 0509801, METHYL4-HYDROXYBENZOATE, AI3-01336, Lexgard M, Paraben M, Methylester kyseliny p-hydroxybenzoove [Czech], (Methyl Paraben), Methylparaben, NF, Methylparaben, FCC, 4-carbomethoxyphenol, Methylparaben (NF), INS number 218, NIPAGIN PLAIN, Solparol (Salt/Mix), methyl 4-hydoxybenzoate, Nifuroxazide Impurity 2, methyl 4 hydroxybenzoate, methyl 4-hydroxylbenzoate, methyl 4-hydroxy-benzoate, methyl-4-hydroxy-benzoate, Methyl 4-?Hydroxybenzoate, Methyl paraben (Standard), METHYLPARABEN [II], METHYLPARABEN [MI], Preserval MS (Salt/Mix), bmse010009, EC 202-785-7, methyl (4-hydroxy)benzoate, METHYLPARABEN [FCC], cid_7456, SCHEMBL4440, METHYLPARABEN [HSDB], METHYLPARABEN [VANDF], MLS001304047, MLS001304187, BIDD:ER0241, Methyl parahydroxybenzoate CRS, SCHEMBL646523, 4-hydroxybenzoate methyl ester, INS No. 218, METHYL PARABEN [VANDF], METHYLPARABEN [USP-RS], METHYLPARABEN [WHO-DD], GTPL6273, orb1303838, orb3139872, SCHEMBL6197887, SCHEMBL8315092, SCHEMBL27417951, HY-N0349R, 4-Hydroxybenzoic acid methylester, methyl 4-hydroxybenzenecarboxylate, MSK2509, HMS2883I08, HMS5082L11, Methyl Paraben, analytical standard, Methyl parahydroxybenzoate (JP18), 4-hydroxy benzoic acid methyl ester, CS-D1181, HY-N0349, Tox21_111616, Tox21_202318, Tox21_300009, BBL005648, BDBM50209100, CK1194, EBC-26102, Methyl 4-hydroxybenzoate - BP grade, NSC406127, s3985, SBB040908, STK802470, AKOS000119910, METHYL HYDROXYBENZOATE [MART.], Tox21_111616_1, CCG-266228, DB14212, FM01972, METHYL HYDROXYBENZOATE [WHO-IP], METHYL P-HYDROXYBENZOATE [FHFI], METHYL PARAHYDROXYBENZOATE [JAN], Methyl 4-hydroxybenzoate, >=99%, FCC, NCGC00159376-03, NCGC00159376-05, NCGC00159376-06, NCGC00253939-01, NCGC00259867-01, FM163295, SY006626, BENZOIC ACID,4-HYDROXY,METHYL ESTER, DB-080628, E 218, H0216, M2206, Methyl 4-hydroxybenzoate, analytical standard, Methyl 4-hydroxybenzoate, p.a., 98-102%, NS00001849, ST50214511, EN300-15481, METHYLIS HYDROXYBENZOAS [WHO-IP LATIN], D01400, Methyl 4-hydroxybenzoate, USP, 98.0-102.0%, METHYL PARAHYDROXYBENZOATE [EP MONOGRAPH], AK-087/40191206, F209090, METHYL SALICYLATE IMPURITY C [EP IMPURITY], Q229987, BRD-K78321730-001-10-8, Methyl 4-hydroxybenzoate, SAJ first grade, >=98.0%, Methyl 4-hydroxybenzoate, tested according to Ph.Eur., PROPYL HYDROXYBENZOATE IMPURITY B [EP IMPURITY], Z19674820, F1908-0119, Methyl 4-Hydroxybenzoate(Discontinued,See C4X-21532), Methyl 4-hydroxybenzoate, BioXtra, >=99.0% (titration), Methylparaben, certified reference material, TraceCERT(R), Methyl 4-hydroxybenzoate, ReagentPlus(R), >=99.0%, crystalline, Methylparaben, United States Pharmacopeia (USP) Reference Standard, InChI=1/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H, Methyl 4-hydroxybenzoate, BioReagent, suitable for insect cell culture, Methyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard, Methylparaben, Pharmaceutical Secondary Standard; Certified Reference Material, Nifuroxazide EP Impurity B; Propyl Parahydroxybenzoate EP Impurity B; Sodium ethyl parahydroxybenzoate EP Impurity B
Theoretical properties:
molecular_formula: C8H8O3
molecular_weight: 152.15 g/mol
exact_mass: 152.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 11
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White needles
color: White needles
odor: Odorless or has faint characteristic odor
boiling_point: 270.5 °C (decomposes)
melting_point: ofp-hydroxybenzoic acid derived from the sample is 213 °C to 217 °C after drying for two hours at 80 °C
solubility: In water, 2.50X10+3 mg/L at 25 °C
vapor_pressure: 0.000237 [mmHg]
Descriptions:
pubchem: Methylparaben is a 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. It has a role as an antifungal agent, a neuroprotective agent, an antimicrobial food preservative and a plant metabolite.
chebi: A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries.
chembl: METHYLPARABEN is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Methylparaben (methyl paraben) one of the parabens, is a preservative with the chemical formula CH3O2CC6H4OH. It is the methyl ester of p-hydroxybenzoic acid.  Several related esters are known (ethyl-, propyl-, butylparaben).  Together they are the most common preservatives in cosmetics and foods.  Among their advantages, parabens are inexpensive, colorless, stable, odorless, and readily biodegraded.