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MilliporeSigma

06185

Supelco

Benzoic acid

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
Beilstein/REAXYS Number:
636131
EC Number:
200-618-2
MDL number:
MFCD00002398
UNSPSC Code:
41116107
PubChem Substance ID:
329748216
E Number:
E210
NACRES:
NA.24

Key Documents

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grade

certified reference material
TraceCERT®

Quality Level

300

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

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

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

Health hazardCorrosion
GHS08,GHS05

signalword

Danger

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_germany

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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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
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
G C Tremblay et al.
Pharmacology & therapeutics, 60(1), 63-90 (1993-10-01)
Detoxification of sodium benzoate by elimination as a conjugate with glycine, a nonessential amino acid, provides a pathway for the disposal of waste nitrogen. Since 1979, sodium benzoate has been widely used in the therapeutic regimen to combat ammonia toxicity
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
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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