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b-resorcylic acid

CAS 99-50-3C7H6O4MW 154.12

b-resorcylic acid (CAS 99-50-3) — formula C7H6O4, molecular weight 154.12; category organic chemicals.

Product Overview

CAS Number99-50-3
Molecular FormulaC7H6O4
Molecular Weight154.12
Melting Point221
LogP0.86
CategoryOrganic Chemicals

Technical Profile

What this product is

b-resorcylic acid is a carbon-based organic compound with CAS registry number 99-50-3 and molecular formula C7H6O4 (molecular weight 154.12), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 99-50-3

Its molecular formula C7H6O4 comprises 7 C, 6 H, 4 O atoms.

Also known as: b-resorcylic acid · b-二间苯二酚酸 · 3,4-Dihydroxybenzoic acid

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of b-resorcylic acid?

The CAS registry number of b-resorcylic acid is 99-50-3.

What is the molecular formula and molecular weight of b-resorcylic acid?

Molecular formula C7H6O4, molecular weight 154.12.

What other names is b-resorcylic acid known by?

It is also registered under: b-resorcylic acid, b-二间苯二酚酸, 3,4-Dihydroxybenzoic acid.

Which category does b-resorcylic acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for b-resorcylic acid (CAS 99-50-3), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number99-50-3
PubChem CID72
Molecular formulaC7H6O4
IUPAC name3,4-dihydroxybenzoic acid
UNII (FDA)36R5QJ8L4B
FEMA number4430
JECFA number2278

Computed descriptors

Molecular Weight154.12
XLogP31.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass154.02660867
Monoisotopic Mass154.02660867
Topological Polar Surface Area77.8
Heavy Atom Count11

Physicochemical values on record

Melting Point221
Melting Point221 °C
Solubility18200
Solubility18.2 mg/mL at 14 °C
Vapor Pressure0.0000021 [mmHg]
LogP0.86
LogP0.99
Dissociation Constants4.26 (at 25 °C)
Collision Cross Section122.9 Ų [M-H]-

Documented uses on record

    Present in wheat grains and many other plants; [Merck Index]Synthetic Polymer MALDI Matrix Compounds

    Synonyms and trade names

    3,4-DIHYDROXYBENZOIC ACID; protocatechuic acid; 99-50-3; 4-Carboxy-1,2-dihydroxybenzene; Protocatehuic acid; 4,5-Dihydroxybenzoic acid; DTXSID4021212; 36R5QJ8L4B; NSC-16631; DTXCID601212; FEMA NO. 4430; CHEBI:36062; RefChem:25857; 202-760-0; protocatechuate; Benzoic acid, 3,4-dihydroxy-

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    Flavoring Agents
    FLAVOURING_AGENT: Flavouring Agent
    Balsamic; At low levels can alter the perception of sweetness and alter the perception of various flavor chara
    No safety concern at current levels of intake when used as a flavouring agent

    GHS hazard classification

    Reported hazard statementsH315 (100%), H319 (100%), H335 (99.3%)

    H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

    H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    What the public record says

    3,4-Dihydroxybenzoic acid · CAS 99-50-3 · C7H6O4. UNII 36R5QJ8L4B. Melting Point: 221; Melting Point: 221 °C; Solubility: 18200.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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