Compound: benzoic acid
SMILES: O=C(O)c1ccccc1
InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
Synonyms: benzoic acid, 65-85-0, Dracylic acid, benzenecarboxylic acid, Benzeneformic acid, Carboxybenzene, phenylformic acid, Benzenemethanoic acid, Phenylcarboxylic acid, Retardex, Retarder BA, Tenn-Plas, Salvo liquid, Benzoesaeure GK, Benzoesaeure GV, Solvo powder, Acide benzoique, Benzoic acid, tech., Unisept BZA, Benzoesaeure, HA 1 (acid), Kyselina benzoova, FEMA No. 2131, Benzenemethonic acid, Vevovitall, Acido benzoico, Menno-florades, Benzoicum acidum, E 210, AI3-0310, Acidum benzoicum, NSC-149, 8SKN0B0MIM, Benzoic acid (e 210), Sodium benzoic acid, Tennplas, INS NO.210, DTXSID6020143, E210, CHEBI:30746, INS-210, Phenyl carboxylic acid, DTXCID80143, E-210, Provita, Provita Combat, Whitfield's, Eyelids Wipes, Provita Equiband, Acid, Benzoic, Rheumatism Diarrhea, Benzoate, Potassium, RefChem:6620, 200-618-2, hydron;benzoate, Benzoic acid (natural), Benzoate (VAN), HA 1, Benzoesaeure [German], Caswell No. 081, Diacylic acid, Oracylic acid, Acide benzoique [French], Acido benzoico [Italian], Kyselina benzoova [Czech], NSC 149, MFCD00002398, CCRIS 1893, Diacylate, HSDB 704, Salvo, liquid, Solvo, powder, AI3-03710, EPA Pesticide Chemical Code 009101, Aromatic carboxylic acid, Benzoic acid 100 microg/mL in Acetone, Benzoicacid, Benzoic Acid 2000 microg/mL in Dichloromethane, BENZOIC-4-D1 ACID, Salvo powder, Benzoic acid [USAN:JAN], CAS-65-85-0, NSC7918, 14322-82-8, EINECS 200-618-2, UNII-8SKN0B0MIM, Benzoic acid [USP:JAN], phenylcarboxy, Dracylate, benzoic aicd, benzoic-acid, benzoic_acid, bezoic acid, Aromatic acid, benzenecarboxylic, benzoic- acid, Retarder BAX, 1gyx, 1kqb, Benzoic acid CRS, Glycopyrronium Bromide EP Impurity D, Benzoic acid (NIST), 760 - Preservatives, ANTAZOLINE_met016, Benzoic acid (Standard), WLN: QVR, benzene-2-carboxylic acid, EUCATROPINE_met034, CYCLANDELATE_met022, BENZOIC ACID [II], BENZOIC ACID [MI], Benzoic acid, ACS reagent, bmse000300, CHEMBL541, Epitope ID:139965, EC 200-618-2, BENZOIC ACID [FCC], BENZOIC ACID [JAN], SCHEMBL1378, SCHEMBL1809, BENZOIC ACID [FHFI], BENZOIC ACID [HSDB], SAMPL4, O1, TRIPELENNAMINE_met034, SCHEMBL20583, SCHEMBL22028, Benzoic acid (JP18/USP), BENZOIC ACID [VANDF], Benzoic acid - Melting point, MLS002415717, 27 - Preservatives in Cream, BENZOIC ACID [MART.], BIDD:ER0597, SCHEMBL129247, BENZOIC ACID [USP-RS], BENZOIC ACID [WHO-DD], BENZOIC ACID [WHO-IP], Benzoic acid, AR, >=99%, Benzoic acid, LR, >=99%, NSC149, orb1310251, orb3029218, SCHEMBL1518068, SCHEMBL1533094, SCHEMBL1939722, SCHEMBL3859000, SCHEMBL4626763, 31 - Preservatives in Mascara, BENZOICUM ACIDUM [HPUS], SCHEMBL11324395, HY-N0216R, Benzoic acid (7CI,8CI,9CI), Benzoic acid, analytical standard, Benzoic acid, p.a., 99.5%, MSK2501, BENZOIC ACID [GREEN BOOK], BDBM197302, HMS2092F18, HMS2267D03, HMS3652B03, HMS5082G22, Pharmakon1600-01503001, BENZOIC ACID [EP MONOGRAPH], HY-N0216, MBA96084, SAA21784, Tox21_202403, Tox21_300180, BENZOIC ACID [USP MONOGRAPH], EBC-04017, MFCD03456189, NSC758203, s4161, SBB040515, STK301730, Benzoic acid, ReagentPlus(R), 99%, AKOS000119619, BS-3752, CCG-213088, DB03793, FB33492, NSC-758203, ACIDUM BENZOICUM [WHO-IP LATIN], Benzoic acid, >=99.5%, FCC, FG, Benzoic Acid (tablets), 100 x 1.0g, Benzoic acid, ACS reagent, >=99.5%, NCGC00091886-01, NCGC00091886-02, NCGC00091886-03, NCGC00091886-05, NCGC00254112-01, NCGC00259952-01, TIAPROFENIC ACID IMPURITY D [EP], Benzoic acid, USP, 99.5-100.5%, BP-30148, MSK2501-1000, SMR001252220, SY009192, Benzoic acid, tested according to Ph.Eur., SBI-0206720.P001, Benzoic acid, SAJ first grade, >=99.5%, DB-029471, B0062, B2635, Benzoic Acid(Discontinued,See C4X-18172), CS-0008257, NS00008785, ST45061539, SW219833-1, Benzoic acid, natural, >=99.5%, FCC, FG, Benzoic acid, SAJ special grade, >=99.5%, Benzoic acid, Vetec(TM) reagent grade, 98%, EN300-18007, 2-BENZOYL-5-METHOXYBENZOQUINONE_met032, Benzoic acid on polystyrene, 1.6-2.1 mmol/g, Benzoic acid, meets USP testing specifications, Benzoic acid, purified by sublimation, >=99%, C00180, C00539, D00038, D85168, MEFENAMIC ACID IMPURITY D [EP IMPURITY], AB00949635_05, AB00949635_06, Benzoic acid Solution in Acetonitrile, 1000?g/mL, Benzoic Acid Zone Refined (number of passes:20), F237766, Q191700, SR-05000001919, Benzoic acid, puriss. p.a., ACS reagent, 99.9%, SR-05000001919-1, 0BE368DC-6DE6-4927-AECF-E4BB2968A4A0, Benzoyl peroxide, hydrous Impurity B [EP IMPURITY], BRD-K53397409-001-11-5, BRD-K53397409-001-12-3, BRD-K53397409-001-13-1, GLYCOPYRRONIUM BROMIDE IMPURITY D [EP IMPURITY], Melting point standard 121-123C, analytical standard, METRONIDAZOLE BENZOATE IMPURITY C [EP IMPURITY], Z57127480, F2191-0092, Benzoic acid, NIST(R) SRM(R) 39j, calorimetric standard, Benzoic acid, Standard for quantitative NMR, TraceCERT(R), METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY I [EP], Benzoic Acid Working Standard (Secondary Reference Standard), Benzoic acid, European Pharmacopoeia (EP) Reference Standard, Mettler-Toledo Calibration substance ME 18555, Benzoic acid, Benzoic acid, for calorimetrical determination (approx. 26460 J/g), Benzoic acid, United States Pharmacopeia (USP) Reference Standard, InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9, SS Benzoic Acid, 2000 mug/mL in dichloromethane, analytical standard, Benzoic acid, Pharmaceutical Secondary Standard; Certified Reference Material, Benzoic acid, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.9% (alkalimetric), B A, Benzoic acid, certified reference material for titrimetry, certified by BAM according to ISO 17025, >=99.5%, Benzoic acid, meets analytical specification of Ph. Eur., BP, USP, FCC, E210, 99.5-100.5% (alkalimetric), Mettler-Toledo Calibration substance ME 18555, Benzoic acid, analytical standard, for the calibration of the thermosystem 900, traceable to primary standards (LGC), ScavengePore(TM) benzoic acid, macroporous, 40-70 mesh, extent of labeling: 0.5-1.5 mmol per g loading
Theoretical properties:
molecular_formula: C7H6O2
molecular_weight: 122.12 g/mol
exact_mass: 122.036779430 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 1
heavy_atom_count: 9
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Monoclinic tablets, plates, leaflets
color: Monoclinic tablets, plates, leaflets
odor: Odorless or with a slight benzaldehyde odor
boiling_point: 480 °F at 760 mmHg (NTP, 1992)
melting_point: 252.3 °F (NTP, 1992)
density: 1.316 at 82.4 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 1 mg/mL at 68 °F (NTP, 1992)
flash_point: 250 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 205 °F (NTP, 1992)
Descriptions:
pubchem: Benzoic acid is a compound comprising a benzene ring core carrying a carboxylic acid substituent. It has a role as an EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor, an EC 3.1.1.3 (triacylglycerol lipase) inhibitor, an antimicrobial food preservative, a plant metabolite, a human xenobiotic metabolite, an algal metabolite and a drug allergen. It is a conjugate acid of a benzoate.
chebi: A compound comprising a benzene ring core carrying a carboxylic acid substituent.
chembl: BENZOIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase -1.0.
wikipedia: Benzoic acid () is a white or colorless crystalline organic compound with the formula C6H5COOH, whose structure consists of a benzene ring (C6H6) with a carboxyl (−C(=O)OH) substituent. The benzoyl group is often abbreviated "Bz" (not to be confused with "Bn", which is used for benzyl), thus benzoic acid is also denoted as BzOH, since the benzoyl group has the formula −C6H5CO. It is the simplest aromatic carboxylic acid. The name is derived from gum benzoin, which was for a long time its only source. 
Benzoic acid occurs naturally in many plants and serves as an intermediate in the biosynthesis of many secondary metabolites. Salts of benzoic acid are used as food preservatives.  Benzoic acid is an important precursor for the industrial synthesis of many other organic substances.  The salts and esters of benzoic acid are known as benzoates ().