3,5-Dihydroxybenzoic acid

Names

[ CAS No. ]:
99-10-5

[ Name ]:
3,5-Dihydroxybenzoic acid

[Synonym ]:
3,5-dihydroxybenzoate
UNII-2WC5LMO6L1
resorcinol-5-carboxylic acid
3,5-Dihydroxybenzoesure
A-RESORCYLIC ACID
3,5-Dihydroxybenzoic acid
3,5-Dihydroxybenzoic
Benzoic acid, 3,5-dihydroxy-
5-carboxyresorcinol
MFCD00002512
3,5-Dihydroxy benzoic acid
EINECS 202-730-7

Biological Activity

[Description]:

3,5-Dihydroxybenzoic acid a potential biomarker for the consumption of many food products, including beer, nuts, peanut, and pulses.

[Related Catalog]:

Natural Products >> Acids and Aldehydes

Research Areas >> Metabolic Disease

[Target]

Human Endogenous Metabolite

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
411.5±15.0 °C at 760 mmHg

[ Melting Point ]:
236-238 °C (dec.)(lit.)

[ Molecular Formula ]:
C₇H₆O₄

[ Molecular Weight ]:
154.120

[ Flash Point ]:
216.8±16.9 °C

[ Exact Mass ]:
154.026611

[ PSA ]:
77.76000

[ LogP ]:
1.12

[ Vapour Pressure ]:
0.0±1.0 mmHg at 25°C

[ Index of Refraction ]:
1.671

[ Water Solubility ]:
84 g/L (20 ºC)

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VH3708000

CHEMICAL NAME :: alpha-Resorcylic acid

CAS REGISTRY NUMBER :: 99-10-5

BEILSTEIN REFERENCE NO. :: 2207864

LAST UPDATED :: 199701

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C7-H6-O4

MOLECULAR WEIGHT :: 154.13

WISWESSER LINE NOTATION :: QVR CQ EQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 5,59,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83895 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 30 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83895 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 108 (estimated) No. of Female Employees: 72 (estimated)

Safety Information

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

[ Hazard Codes ]:
Xi:Irritant

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36-S37/39

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
1

[ RTECS ]:
VH3708000

[ Packaging Group ]:
III

[ HS Code ]:
29182990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2918290000

[ Summary ]:
HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles

Click to a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides: novel construction of PTP1B inhibitors on a sugar scaffold.

Eur. J. Med. Chem. 46 , 4212-8, (2011)

With an aim of developing novel protein tyrosine phosphatase (PTP) 1B inhibitors based on sugar scaffolds, a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides was efficiently constructed...

Inhibition of 15-lipoxygenase-catalysed oxygenation of arachidonic acid by substituted benzoic acids.

Bioorg. Med. Chem. 16 , 4589-93, (2008)

Elevated levels of phospholipases, prostaglandin synthases and lipoxygenases in colonic cells at various stages of malignancy indicate a strong link between dietary lipids and colon cancer. Lipoxygena...

In vitro inhibition of α-carbonic anhydrase isozymes by some phenolic compounds.

Bioorg. Med. Chem. Lett. 21 , 4259-62, (2011)

Carbonic anhydrase inhibitors (CAIs) are a class of pharmaceuticals used as antiglaucoma agents, diuretics, antiepileptics, in the management of mountain sickness, gastric and duodenal ulcers, neurolo...