| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:05 UTC |
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| Update date | 2017-01-19 02:36:26 UTC |
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| FoodComEx ID | PC000511 |
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| FoodDB Record | FDB008739 |
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| Chemical Information |
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| Name | Benzoic acid |
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| Description | Widespread in plants especies in essential oils and fruits, mostly in esterified formand is also present in butter, cooked meats, pork fat, white wine, black and green tea, mushroom and Bourbon vanilla. It is used in foodstuffs as antimicrobial and flavouring agent and as preservative. In practical food preservation, the Na salt of benzoic acid is the most widely used form (see MDQ71-S). The antimicrobial activity comprises a wide range of microorganisms, particularly yeasts and moulds. Undissociated benzoic acid is more effective than dissociated, thus the preservative action is more efficient in acidic foodstuffs. Typical usage levels are 500-2000 ppm. Benzoic acid is found in many foods, some of which are animal foods, common grape, lovage, and fruits. |
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| CAS Number | 65-85-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Acid, benzoic | biospider | | Acide benzoique | ChEBI | | Aromatic carboxylate | Generator | | Aromatic carboxylic acid | ChEBI | | Benzenecarboxylate | Generator | | Benzenecarboxylic acid | db_source | | Benzeneformate | Generator | | Benzeneformic acid | ChEBI | | Benzenemethanoate | Generator | | Benzenemethanoic acid | ChEBI | | Benzenemethonic acid | HMDB | | Benzoesaeure | ChEBI | | Carboxybenzene | HMDB | | Diacylate | HMDB | | Diacylic acid | HMDB | | Dracylate | Generator | | E210 | db_source | | FEMA 2131 | db_source | | Oracylic acid | HMDB | | Phenylcarboxylate | Generator | | Phenylcarboxylic acid | ChEBI | | Phenylformate | Generator |
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| Chemical Formula | C7H6O2 |
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| IUPAC name | benzoic acid |
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| InChI Identifier | InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
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| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)C1=CC=CC=C1 |
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| Average Molecular Weight | 122.123 |
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| Monoisotopic Molecular Weight | 122.036779433 |
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| Chemical Taxonomy |
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| Classification | Not classified |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | 1.87 | HANSCH,C ET AL. (1995) |
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| Experimental Water Solubility | 3.4 mg/mL at 25 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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| Melting Point | Mp 122° | DFC |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | J93357 |
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| AKSci | K073 |
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| Glentham | GK5967 |
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| MetaSci | HMDB0001870 |
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| Sigma-Aldrich | HMDB0001870 |
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| Toronto Research Chemicals | B203900 |
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