| Phytochemical Name : Benzoic Acid |
| PCNDIDB0027 |
| Pubchem CID : 243 |
| Molecular formula: C7H6O2 |
| Canonical SMILES : C1=CC=C(C=C1)C(=O)O |
Synonymes : benzoic acid|65-85-0|Dracylic acid|benzenecarboxylic acid|Carboxybenzene|Benzeneformic acid|phenylformic acid|Benzenemethanoic acid|Phenylcarboxylic acid|benzoate|Retardex|Benzoesaeure GK|Benzoesaeure GV|Retarder BA|Tenn-Plas|Acide benzoique|Salvo liquid|Solvo powder|Benzoesaeure|Benzoic acid, tech.|Unisept BZA|HA 1 (acid)|Kyselina benzoova|Benzoic acid (natural)|FEMA No. 2131|HA 1|Caswell No. 081|Benzoate (VAN)|Benzenemethonic acid|Vevovitall|Acido benzoico|Menno-florades|NSC 149|Benzoesaeure [German]|Diacylic acid|Oracylic acid|Benzoicum acidum|CCRIS 1893|HSDB 704|Acide benzoique [French]|Acido benzoico [Italian]|E 210|Kyselina benzoova [Czech]|AI3-0310|AI3-03710|C7H6O2|Diacylate|Tennplas|EPA Pesticide Chemical Code 009101|CHEBI:30746|Salvo powder|Acidum benzoicum|NSC-149|UNII-8SKN0B0MIM|E210|Salvo, liquid|Solvo, powder|8SKN0B0MIM|Benzoic acid (e 210)|Retarded BA|Benzoic acid [USAN:JAN]|phenyl formic acid|EINECS 200-618-2|Benzoic acid, tech|INS NO.210|DTXSID6020143|Phenyl carboxylic acid|INS-210|Aromatic carboxylic acid|MFCD00002398|Benzoic acid [USP:JAN]|Benzoic-3,5-d2 Acid|DTXCID80143|BENZOIC-4-D1 ACID|E-210|EC 200-618-2|Benzeneformate|Phenylformate|Benzenemethanoate|Phenylcarboxylate|Benzenecarboxylate|Benzoic acid 100 microg/mL in Acetone|Benzene formic acid|Sodium benzoic acid|BENZOIC ACID (II)|BENZOIC ACID [II]|117500-35-3|BENZOIC ACID (MART.)|BENZOIC ACID [MART.]|BENZOIC ACID (EP MONOGRAPH)|BENZOIC ACID [EP MONOGRAPH]|BENZOIC ACID (USP MONOGRAPH)|BENZOIC ACID [USP MONOGRAPH]|Benzoic acid-2,3,4,5,6-d5|Acid, Benzoic|CAS-65-85-0|MFCD00002400|NSC7918|B A|Benzoic acid (TN)|Benzoic acid Natural|37960-84-2|MEFENAMIC ACID IMPURITY D (EP IMPURITY)|MEFENAMIC ACID IMPURITY D [EP IMPURITY]|(1,2,3,4,5,6-13C6)cyclohexatrienecarboxylic acid|GLYCOPYRRONIUM BROMIDE IMPURITY D (EP IMPURITY)|GLYCOPYRRONIUM BROMIDE IMPURITY D [EP IMPURITY]|METRONIDAZOLE BENZOATE IMPURITY C (EP IMPURITY)|METRONIDAZOLE BENZOATE IMPURITY C [EP IMPURITY]|HYDROUS BENZOYL PEROXIDE IMPURITY B (EP IMPURITY)|HYDROUS BENZOYL PEROXIDE IMPURITY B [EP IMPURITY]|phenylcarboxy|Dracylate|benzoesyre-|benzoic aicd|benzoic-acid|bezoic acid|Aromatic acid|benzenecarboxylic|benzoic- acid|Benzoic-acid-|Retarder BAX|1gyx|1kqb|Benzoic Acid USP|Benzoic Acid,(S)|CARBOXYLBENZENE|Natural Benzoic Acid|DIACYCLIC ACID|DRACYCLIC ACID|benzene carboxylic acid|BENZOICACID-D5|BZA (CHRIS Code)|Benzoic acid / Benzoate|WLN: QVR|benzene-2-carboxylic acid|BENZOIC ACID [MI]|Benzoic acid, ACS reagent|bmse000300|CHEMBL541|Epitope ID:139965|BENZOIC ACID [FCC]|BENZOIC ACID [JAN]|SCHEMBL1378|BENZOIC ACID [FHFI]|BENZOIC ACID [HSDB]|BENZOIC ACID [INCI]|SAMPL4, O1|Benzoic acid (JP17/USP)|BENZOIC ACID [VANDF]|MLS002415717|BIDD:ER0597|BENZOIC ACID [USP-RS]|BENZOIC ACID [WHO-DD]|BENZOIC ACID [WHO-IP]|Benzoic acid, AR, >=99%|Benzoic acid, LR, >=99%|NSC149|BENZOICUM ACIDUM [HPUS]|FEMA 2131|Benzoic acid (7CI,8CI,9CI)|Benzoic acid, analytical standard|Benzoic acid, p.a., 99.5%|BENZOIC ACID [GREEN BOOK]|BDBM197302|Benzoic-2,3,4,5,6-d5 acid|HMS2092F18|HMS2267D03|HMS3652B03|Pharmakon1600-01503001|TIAPROFENIC ACID IMPURITY D|HY-N0216|Tox21_202403|Tox21_300180|LS-280|NA9094|NSC758203|s4161|STK301730|Benzoic acid, ReagentPlus(R), 99%|AKOS000119619|BS-3752|CCG-213088|DB03793|NSC-758203|ACIDUM BENZOICUM [WHO-IP LATIN]|Benzoic acid, >=99.5%, FCC, FG|USEPA/OPP Pesticide Code: 009101|Benzoic acid, ACS reagent, >=99.5%|NCGC00091886-01|NCGC00091886-02|NCGC00091886-03|NCGC00254112-01|NCGC00259952-01|TIAPROFENIC ACID IMPURITY D [EP]|Benzoic acid, USP, 99.5-100.5%|BP-30148|SMR001252220|SY009192|SY236257|Benzoic acid, tested according to Ph.Eur.|Deuterio 2,3,4,5,6-pentadeuteriobenzoate|SBI-0206720.P001|Benzoic acid, SAJ first grade, >=99.5%|B0062|B2635|CS-0008257|FT-0622705|FT-0662569|FT-0662570|FT-0770591|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|Benzoic acid, meets USP testing specifications|Benzoic acid, purified by sublimation, >=99%|C00180|C00539|D00038|D85168|AB00949635_05|AB00949635_06|Benzoic Acid 2000 microg/mL in Dichloromethane|A835250|A934445|Benzoic Acid Zone Refined (number of passes:20)|Q191700|SR-05000001919|Benzoic acid, puriss. p.a., ACS reagent, 99.9%|METHYLAMINOLEVULINATE HYDROCHLORIDE IMPURITY I|SR-05000001919-1|0BE368DC-6DE6-4927-AECF-E4BB2968A4A0|Melting point standard 121-123C, analytical standard|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, 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|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)|14322-82-8|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 |
| Structure | |
| 3D structure | 2D structure |
![]() |
| Log Po/w (iLOGP) : 1.110 |
| Log Po/w (XLOGP3) : 1.870 |
| Log Po/w (WLOGP) : 1.380 |
| Log Po/w (MLOGP) : 1.600 |
| Log Po/w (SILICOS-IT) : 1.240 |
| Consensus Log Po/w : 1.440 |

