Veratric acid

Names

[ CAS No. ]:
93-07-2

[ Name ]:
Veratric acid

[Synonym ]:
MFCD00002500
EINECS 202-215-7
Benzoic acid, 3,4-dimethoxy-
3,4-Dimethoxybenzoic acid
Veratric acid

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
302.9±22.0 °C at 760 mmHg

[ Melting Point ]:
179-182 °C(lit.)

[ Molecular Formula ]:
C₉H₁₀O₄

[ Molecular Weight ]:
182.173

[ Flash Point ]:
120.9±15.8 °C

[ Exact Mass ]:
182.057907

[ PSA ]:
55.76000

[ LogP ]:
1.99

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.533

[ Storage condition ]:
Refrigerator

[ Stability ]:
Stable. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
slightly soluble

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DG8598750

CHEMICAL NAME :: Benzoic acid, 3,4-dimethoxy-

CAS REGISTRY NUMBER :: 93-07-2

BEILSTEIN REFERENCE NO. :: 0518285

LAST UPDATED :: 199701

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C9-H10-O4

MOLECULAR WEIGHT :: 182.19

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >800 mg/kg

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

MUTATION DATA

TYPE OF TEST :: DNA inhibition

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 1 mmol/L

REFERENCE :: BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 29,1275,1980

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ 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 ]:
3

[ RTECS ]:
DG8598750

[ HS Code ]:
2918990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

3,4-Dimethoxybenzyl Alcohol
veratraldehyde
4-(azidomethyl)-1,2-dimethoxybenzene
protocatechuic acid
Ethanol
Dimethyl sulfate
3,4-Dimethoxyacetophenone
Methyl 3,4-dimethoxybenzoate
1,2-dimethoxy-4-(nitromethyl)benzene
1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol

DownStream

(3,4-dimethoxyphenyl)-(2-sulfanylidene-1,3-thiazolidin-3-yl)methanone
4-Ethynyl-1,2-dimethoxybenzene
4-Hydroxymethylcatechol
Vanillyl alcohol
3,4-Dimethoxybenzyl Alcohol
2-hydroxy-3,4-dimethoxybenzoic acid
Ethyl 3,4-Dimethoxybenzoate
Methyl vanillate
Benzene,4-isocyanato-1,2-dimethoxy-
3',4'-dimethoxyflavone

Customs

[ HS Code ]: 2918990090

[ Summary ]:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles

Quantitative measurement of organic acids in tissues from gastric cancer patients indicates increased glucose metabolism in gastric cancer.

PLoS ONE 9(6) , e98581, (2014)

The levels of organic acids representing metabolic pathway end products are important indicators of physiological status, and may be associated with metabolic changes in cancer. The aim of this study ...

Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site.

Bioorg. Med. Chem. 19 , 1381-9, (2011)

Carbonic anhydrases (CAs, EC 4.2.1.1) are inhibited by sulfonamides, inorganic anions, phenols, coumarins (acting as prodrugs) and polyamines. A novel class of CA inhibitors (CAIs), interacting with t...

The regulatory effect of veratric acid on NO production in LPS-stimulated RAW264.7 macrophage cells.

Cell. Immunol. 280(2) , 164-70, (2012)

Veratric acid, a simple benzoic acid derived from plants and fruits, has been reported to have anti-oxidant, anti-inflammation, and blood pressure-lowering effects. This study was designed to evaluate...