Benzoic acid

Name: Benzoic acid
Brand: SIAL

TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

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About This Item

Linear Formula:

C₆H₅COOH

CAS Number:

65-85-0

Molecular Weight:

122.12

NACRES:

NA.24

E Number:

E210

PubChem Substance ID:

329748216

UNSPSC Code:

41116107

EC Number:

200-618-2

MDL number:

MFCD00002398

Beilstein/REAXYS Number:

636131

Product Name

Benzoic acid, TraceCERT^®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

InChI key

WPYMKLBDIGXBTP-UHFFFAOYSA-N

InChI

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

SMILES string

OC(=O)c1ccccc1

grade

certified reference material
TraceCERT^®

vapor density

4.21 (vs air)

vapor pressure

10 mmHg ( 132 °C)

description

qNMR Standard for organic solvents (8.2-7.4 ppm)

form

crystalline

autoignition temp.

1061 °F

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

gas chromatography (GC): suitable
qNMR: suitable ((standard))
qNMR: suitable

bp

249 °C (lit.)

mp

121-125 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care
pharmaceutical

format

neat

Quality Level

300

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Related Categories

Certified Reference Materials

Food & Cosmetic Component Standards

Food Additive Standards

Physical & Chemical Property Standards

General description

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Check out our entire range of quantitative NMR standards (qNMR standards)

This substance is listed on the positive list of the EU regulation 10/2011 for plastics intended to come into contact with food. Find all available reference materials for compounds listed in 10/2011 here

Other Notes

Check out ChemisTwin, our brand new online portal for identity confirmation of NMR spectra. A feature for quantitative NMR is in development. Learn more or reach out to us for a free trial.

Chemical Shift: 7.4 - 8.2 ppm (chemical shifts may slightly vary depending on the experimental conditions)
suitable NMR solvents: MeOD, DMSO-d₆

Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

pictograms

GHS08,GHS05

signalword

Danger

hcodes

H315,H318,H372

pcodes

P260 - P264 - P280 - P302 + P352 - P305 + P351 + P338 - P314

Hazard Classifications

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

target_organs

Lungs

Storage Class

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

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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Discovery, SAR, and pharmacokinetics of a novel 3-hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors.

Allen J Duplantier et al.

Journal of medicinal chemistry, 52(11), 3576-3585 (2009-05-15)

3-Hydroxyquinolin-2(1H)-one (2) was discovered by high throughput screening in a functional assay to be a potent inhibitor of human DAAO, and its binding affinity was confirmed in a Biacore assay. Cocrystallization of 2 with the human DAAO enzyme defined the

Benzoyl peroxide: percutaneous penetration and metabolic disposition.

S Nacht et al.

Journal of the American Academy of Dermatology, 4(1), 31-37 (1981-01-01)

The transepidermal penetration and metabolic disposition of 14C-benzoyl peroxide were assessed in vitro (excised human skin) and in vivo (rhesus monkey). In vitro, the benzoyl peroxide penetrated into the skin, through the stratum corneum or the follicular openings, or both

Nematic liquid crystalline elastomer grating and microwire fabricated by micro-molding in capillaries.

Renbo Wei et al.

Macromolecular rapid communications, 34(4), 330-334 (2013-01-03)

A new approach is developed to fabricate highly oriented mono-domain LCE nano/microstructures through micro-molding in capillaries. Gratings and microwires as two typical examples are fabricated and characterized by polarizing optical microscopy, optical microscopy, and scanning electron microscopy. The gratings with

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)

Copper-promoted sulfenylation of sp2 C-H bonds.

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

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