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Key Documents

W213101

Sigma-Aldrich

Benzoic acid

≥99.5%, FCC, FG

Synonym(s):

Benzene carboxylic acid, Benzene formic acid, Diacylic acid, Phenylcarboxylic acid

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About This Item

Linear Formula:
C6H5COOH
CAS Number:
Molecular Weight:
122.12
FEMA Number:
2131
Beilstein:
636131
EC Number:
Council of Europe no.:
21
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
8.021
NACRES:
NA.21

biological source

synthetic

Quality Level

grade

FG
Halal
Kosher

Agency

meets purity specifications of JECFA

reg. compliance

EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 184.1021

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

Assay

≥99.5%

form

powder or crystals

autoignition temp.

1061 °F

packaging

poly drum of 10, 25 kg
poly bottle of 1 kg

bp

132-133 °C/10 mmHg
249 °C (lit.)

mp

121-125 °C (lit.)

solubility

soluble, clear, colorless (95% ethanol, 1gm/3mL)

density

1.32 g/cm3 at 20 °C

cation traces

As: ≤3 ppm
Cd: ≤1 ppm
Hg: ≤1 ppm
Pb: ≤2 ppm

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

balsam

SMILES string

OC(=O)c1ccccc1

InChI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

InChI key

WPYMKLBDIGXBTP-UHFFFAOYSA-N

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General description

Benzoic acid is an organic acid that is used as an antimicrobial agent, flavoring agent and preservative in its sodium salt form.

Application


  • Photochemical Aerobic Upcycling of Polystyrene Plastics.: Benzoic acid is utilized in a novel photocatalytic process for the upcycling of polystyrene plastics. This study showcases its application in sustainable chemistry, focusing on the efficient breakdown and recycling of polymer materials (Skolia et al., 2024).

Disclaimer

The product is not intended for use as a biocide under global biocide regulations, including but not limited to US EPA′s Federal Insecticide Fungicide and Rodenticide Act, European Biocidal Products Regulation, Canada’s Pest Management Regulatory Agency, Turkey’s Biocidal Products Regulation, Korea’s Consumer Chemical Products and Biocide Safety Management Act (K-BPR) and others.

Pictograms

Health hazardCorrosion

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Dam. 1 - Skin Irrit. 2 - STOT RE 1 Inhalation

Target Organs

Lungs

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Dictionary of Food Compounds with CD-ROM: Additives, Flavors, and Ingredients, 141-141 (2012)
Encyclopedia of Food and Color Additives, 1, 249-252 (1997)
Copper-mediated C-H/C-H biaryl coupling of benzoic acid derivatives and 1,3-azoles.
Mayuko Nishino et al.
Angewandte Chemie (International ed. in English), 52(16), 4457-4461 (2013-03-21)
Ly Dieu Tran et al.
Journal of the American Chemical Society, 134(44), 18237-18240 (2012-10-30)
An auxiliary-assisted, copper catalyzed or promoted sulfenylation of benzoic acid derivative β-C-H bonds and benzylamine derivative γ-C-H bonds has been developed. The method employs disulfide reagents, copper(II) acetate, and DMSO solvent at 90-130 °C. Application of this methodology to the
Wanchun Xiang et al.
ChemSusChem, 6(2), 256-260 (2013-01-25)
Sensing the sun: Incorporation of a cyanomethyl benzoic acid electron acceptor into donor-π-acceptor sensitizers for dye-sensitized-solar cell is shown to lead to devices with improved conversion efficiency when compared with more widely used cyanoacetic acid acceptor.

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