3,4-Dihydroxybenzoic acid (CAS 99-50-3) — formula C7H6O4, molecular weight 154.12; category organic chemicals.
3,4-Dihydroxybenzoic 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.
CAS number: 99-50-3
Its molecular formula C7H6O4 comprises 7 C, 6 H, 4 O atoms.
Also known as: 3,4-Dihydroxybenzoic acid · b-resorcylic acid
Category: organic chemicals
The CAS registry number of 3,4-Dihydroxybenzoic acid is 99-50-3.
Molecular formula C7H6O4, molecular weight 154.12.
It is also registered under: 3,4-Dihydroxybenzoic acid, b-resorcylic acid.
Category: Organic Chemicals.
Public-database records for 3,4-Dihydroxybenzoic acid (CAS 99-50-3), reproduced here for independent cross-checking.
| Reported hazard statements | H315 (100%), H319 (100%), H335 (99.3%) |
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H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
| Regulatory & Food Contact | EU 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 |
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| 熔点 | 221 |
|---|---|
| 熔点 | 221 °C |
| 溶解度 | 18200 |
| 溶解度 | 18.2 mg/mL at 14 °C |
| 蒸气压 | 0.0000021 [mmHg] |
| LogP | 0.86 |
| LogP | 0.99 |
| Dissociation Constants | 4.26 (at 25 °C) |
| Collision Cross Section | 122.9 Ų [M-H]- |
| CAS Registry Number | 99-50-3 |
|---|---|
| PubChem CID | 72 |
| 分子式 | C7H6O4 |
| IUPAC 名称 | 3,4-dihydroxybenzoic acid |
| UNII（FDA） | 36R5QJ8L4B |
| FEMA 编号 | 4430 |
| JECFA 编号 | 2278 |
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-
| 分子量 | 154.12 |
|---|---|
| XLogP3 | 1.1 |
| 氢键供体数 | 3 |
| 氢键受体数 | 4 |
| 可旋转键数 | 1 |
| 精确质量 | 154.02660867 |
| 单同位素质量 | 154.02660867 |
| 拓扑极性表面积 | 77.8 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
3,4-Dihydroxybenzoic acid · CAS 99-50-3 · C7H6O4. UNII 36R5QJ8L4B. 熔点: 221; 熔点: 221 °C; 溶解度: 18200.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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