(2H5)Benzoic acid

Names

[ Name ]:
(2H5)Benzoic acid

[Synonym ]:
Benzoic-d acid
pentadeuterated benzoic acid
(H)Benzoic acid
Benzoic-d5 acid
MFCD00002400
1,2,3,4,5-pentadeuteriobenzoic acid
EINECS 214-089-0
2,3,4,5,6-pentadeuteriobenzoic acid
ring deuterated benzoic acid
d5-benzoic acid

Biological Activity

[Description]:

Benzoic acid-d5 is a deuterium substitute for Benzoic acid. Benzoic acid is an aromatic alcohol that occurs naturally in many plants and is a common additive in food, beverages, cosmetics and other products. Benzoic acid can act as a preservative by inhibiting bacteria and fungi[1][2].

[Related Catalog]:

Research Areas >> Infection

Signaling Pathways >> Anti-infection >> Fungal

Signaling Pathways >> Anti-infection >> Bacterial

[In Vitro]

Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. Benzoic acid-d5 can be used for labeling and quantifying the glycopeptides of human serum IgG (hIgG)[3].

[References]

[1]. Edward M Russak, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. doi: 10.1177/1060028018797110. Epub 2018 Aug 23.

[2]. Nair B, et al. Final report on the safety assessment of Benzyl Alcohol, Benzoic Acid, and Sodium Benzoate. Int J Toxicol. 2001;20 Suppl 3:23-50.

[3]. Masaki Kurogochi, et al. Relative quantitation of glycopeptides based on stable isotope labeling using MALDI-TOF MS. Molecules. 2014 Jul 9;19(7):9944-61.

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
249.3±9.0 °C at 760 mmHg

[ Melting Point ]:
121-125ºC(lit.)

[ Molecular Formula ]:
C₇HD₅O₂

[ Molecular Weight ]:
127.152

[ Flash Point ]:
121.1±0.0 °C

[ Exact Mass ]:
127.068161

[ PSA ]:
37.30000

[ LogP ]:
1.89

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.564

[ Storage condition ]:
Refrigerator

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS05, GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H302-H315-H317-H318-H334-H335

[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311

[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves

[ Hazard Codes ]:
Xn

[ Risk Phrases ]:
R22

[ Safety Phrases ]:
S22-S26-S36

[ WGK Germany ]:
3

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Articles

Carbon dioxide utilization via carbonate-promoted C-H carboxylation.

Nature 531 , 215-9, (2016)

Using carbon dioxide (CO2) as a feedstock for commodity synthesis is an attractive means of reducing greenhouse gas emissions and a possible stepping-stone towards renewable synthetic fuels. A major i...