b-二间苯二酚酸(CAS 99-50-3):分子式 C7H6O4、分子量 154.12。
| CAS号 | 99-50-3 |
|---|---|
| 分子式 | C7H6O4 |
| 分子量 | 154.12 |
| 熔点 | 221 |
| LogP | 0.86 |
b-二间苯二酚酸 是一种化工化合物,登记 CAS 号为 99-50-3,分子式 C7H6O4(分子量 154.12)。
登记 CAS 号:99-50-3
其分子式 C7H6O4 由 7 个碳、6 个氢、4 个氧 组成。
别名/同义词:b-二间苯二酚酸 · b-resorcylic acid · 3,4-Dihydroxybenzoic acid
b-二间苯二酚酸 的 CAS 登记号为 99-50-3。
分子式 C7H6O4,分子量 154.12。
别名/同义词:b-二间苯二酚酸、b-resorcylic acid、3,4-Dihydroxybenzoic acid。
b-二间苯二酚酸(CAS 99-50-3)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 99-50-3 |
|---|---|
| PubChem CID | 72 |
| Molecular formula | C7H6O4 |
| IUPAC name | 3,4-dihydroxybenzoic acid |
| UNII (FDA) | 36R5QJ8L4B |
| FEMA number | 4430 |
| JECFA number | 2278 |
| Molecular Weight | 154.12 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 154.02660867 |
| Monoisotopic Mass | 154.02660867 |
| Topological Polar Surface Area | 77.8 |
| Heavy Atom Count | 11 |
| Melting Point | 221 |
|---|---|
| Melting Point | 221 °C |
| Solubility | 18200 |
| Solubility | 18.2 mg/mL at 14 °C |
| Vapor Pressure | 0.0000021 [mmHg] |
| LogP | 0.86 |
| LogP | 0.99 |
| Dissociation Constants | 4.26 (at 25 °C) |
| Collision Cross Section | 122.9 Ų [M-H]- |
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 & 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 |
|---|
| Reported hazard statements | H315 (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]
3,4-Dihydroxybenzoic acid · CAS 99-50-3 · C7H6O4. UNII 36R5QJ8L4B. Melting Point: 221; Melting Point: 221 °C; Solubility: 18200.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: b-resorcylic acid