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Isovanillic acid

Isovanillic acid structure

CAS No:
645-08-9
Formula:
C8H8O4
Chemical Name:
Isovanillic acid
Synonyms:
Benzoic acid,3-hydroxy-4-methoxy-;Isovanillic acid;p-Anisic acid,3-hydroxy-;3-Hydroxy-4-methoxybenzoic acid;3-Hydroxy-p-anisic acid;5-Carboxy-2-methoxyphenol;4-Methoxy-3-hydroxybenzoic acid
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Isovanillic acid (3-Hydroxy-4-methoxybenzoic acid) is a phenolic acid isolated from isolated from S. frutescens, with Anti-inflammatory activity[1].

3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate.

Isovanillic acid Basic Attributes

Molecular Weight：

168.15

Exact Mass：

168.15

EC Number：

211-430-5

UNII：

A8D1DUX2PR

DSSTox ID：

DTXSID40214745

HScode：

2918990090

Characteristics

PSA：

66.8

XLogP3：

1.4

Appearance：

White to light yellow crystalline powder

Density：

1.4±0.1 g/cm3

Melting Point：

154-155 °C

Boiling Point：

344.3°C at 760 mmHg

Flash Point：

145.2±17.2 °C

Refractive Index：

1.586

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36-S37/39

RTECS Number：

BZ4850000

Marks：

Xi:Irritant;

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 45 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

isovanillic acid

Computed Properties

Molecular Weight:168.15
XLogP3:1.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:168.04225873
Monoisotopic Mass:168.04225873
Topological Polar Surface Area:66.8
Heavy Atom Count:12
Complexity:168
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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3-Hydroxy-4-methoxybenzoic acid

CAS No.: 645-08-9

Grade: industrial Grade

Content: 98%

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3-Hydroxy-4-methoxybenzoic acid

CAS No.: 645-08-9

Content: 99.00%

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