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Veratric Acid

Veratric Acid structure

CAS No:
93-07-2
Formula:
C9H10O4
Chemical Name:
Veratric Acid
Synonyms:
NSC 7721;Protocatechuic Acid Dimethyl Ether Veratric Acid;(2R)-2,7,8-Trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-ol;3,4-DiMethoxybenzoic acid, 99+% 100GR;3,4-DIMETHOXYBENZOIC ACID FOR SYNTHESIS;DiMethoxybenzoic aci;3,4- twoMethoxybenzoic acid;3,4-DIMETHOXYBENZOIC ACID (VERATRIC ACID)
Categories:
Pharmaceutical Intermediates > Gastrointestinal Agents

Description

Veratric acid (3,4-Dimethoxybenzoic acid) is an orally active phenolic compound derived from vegetables and fruits, has antioxidant[1] and anti-inflammatory activities[3]. Veratric acid also acts as a protective agent against hypertension-associated cardiovascular remodelling[2]. Veratric acid reduces upregulated COX-2 expression, and levels of PGE2, IL-6 after UVB irradiation[3].

3,4-dimethoxybenzoic acid is a member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. It has a role as a plant metabolite and an allergen. It derives from a hydride of a benzoic acid.

white to slightly yellow powder

Crystallise the acid from Et2O, H2O or aqueous acetic acid. It has m 180-181o after sublimation at 80o/1mm. [Beilstein 10 H 393, 10 I 188, 10 II 261, 10 III 1404, 10 IV 1406.]

Veratric Acid Basic Attributes

Molecular Weight：

182.17

Exact Mass：

182.17

BRN：

518285

EC Number：

202-215-7

UNII：

1YY04E7RR4

NSC Number：

7721

TSCA：

TSCA listed

DSSTox ID：

DTXSID6059077

Color/Form：

Almost white to beige or reddish

HScode：

29189090

Characteristics

PSA：

55.76000

XLogP3：

1.6

Appearance：

Almost white to beige or reddish Crystalline Powder

Density：

1.2481 (rough estimate)

Melting Point：

179-182 °C(lit.)

Boiling Point：

275.56°C (rough estimate)

Flash Point：

120.9±15.8 °C

Refractive Index：

1.4500 (estimate)

Water Solubility：

slightly soluble

Storage Conditions：

Refrigerator

Vapor Pressure：

2.46e-04 mmHg

PKA：

4.35±0.10(Predicted)

Henrys Law Constant：

1.1×105mol/(m3Pa) at 25℃, Abraham and Jr. (2019)

Critical Temperature & Pressure：

Inert atmosphere,Room Temperature

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

safety instructions：

26-36-37/39

RTECS Number：

DG8598750

Marks：

Stability/Shelf Life：

Stable. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

36/37/38

GHS Classification：

|Warning|H302 (15.15%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 70 companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

veratric acid

Veratric Acid Use and Manufacturing

Uses

Veratric Acid is a derivative of Protocatechuic Acid. Veratric Acid is a reagent used in the production of antimicrobial agents, antifeedants, and a variety of other biologically active compounds.

3,4-Dimethoxybenzoic acid plays an important role in producing antibiotics and various dyes. They are used as intermediates for pharmaceuticals (especially for antipyretic analgesic, antirheumatism) and other organic synthesis. It is used as matrix for ionization of peptides, proteins and carbohydrates.

Manufacturing Info：

Benzoic acid, 3,4-dimethoxy-: ACTIVE

Computed Properties

Molecular Weight:182.17
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:182.05790880
Monoisotopic Mass:182.05790880
Topological Polar Surface Area:55.8
Heavy Atom Count:13
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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