4-Hydroxybenzoic Acid Methyl Ester (CAS 99-76-3) — formula C8H8O3, molecular weight 152.15; category organic chemicals.
4-Hydroxybenzoic Acid Methyl Ester is a carbon-based organic compound with CAS registry number 99-76-3 and molecular formula C8H8O3 (molecular weight 152.15), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 99-76-3
Its molecular formula C8H8O3 comprises 8 C, 8 H, 3 O atoms.
Also known as: 4-Hydroxybenzoic Acid Methyl Ester · Methylparaben
Category: organic chemicals
The CAS registry number of 4-Hydroxybenzoic Acid Methyl Ester is 99-76-3.
Molecular formula C8H8O3, molecular weight 152.15.
It is also registered under: 4-Hydroxybenzoic Acid Methyl Ester, Methylparaben.
Category: Organic Chemicals.
Public-database records for 4-Hydroxybenzoic Acid Methyl Ester (CAS 99-76-3), reproduced here for independent cross-checking.
| GHS 通报统计 | 31.5% (1035 / 3282) |
|---|---|
| 已通报的危害声明 | H315 (53.8%), H319 (53.7%), H335 (50.5%), H336, H402, H411, H412 |
| 法规与食品接触 | FDA Substance added to food: ANTIMICROBIAL AGENT, FLAVORING AGENT OR ADJUVANT PRESERVATIVE: Food Additives JECFA ADI: 0-10 mg/kg bw ADI 组为对羟基苯甲酸乙酯和甲酯的总和。鉴于不利影响我 NMRS 53/TRS 539-JECFA 17/17 FAS 5/NMRS 53A-JECFA 17/81 |
|---|---|
| GHS 通报统计 | 31.5% (1035 / 3282) |
| 沸点 | 270.5 °C (decomposes) |
|---|---|
| 沸点 | 275.00 °C. @ 760.00 mm Hg |
| 熔点 | 125.2 °C |
| 熔点 | 131 °C |
| 溶解度 | In water, 2.50X10+3 mg/L at 25 °C |
| 溶解度 | 2.5 mg/mL at 25 °C |
| 蒸气压 | 0.000237 [mmHg] |
| LogP | log Kow = 1.96 |
| LogP | 1.96 |
| LogP | 1.91 |
| CAS 号 | 99-76-3 |
|---|---|
| PubChem CID | 7456 |
| 分子式 | C8H8O3 |
| 分子量 | 152.05 g/mol |
| IUPAC 名称 | methyl 4-hydroxybenzoate |
| InChIKey | LXCFILQKKLGQFO-UHFFFAOYSA-N |
| UNII（FDA） | A2I8C7HI9T |
| ChEBI 编号 | CHEBI:31835 |
| FEMA 编号 | 2710 |
Methyl 4-hydroxybenzoate; METHYLPARABEN; 99-76-3; Methyl paraben; Methyl p-hydroxybenzoate; Nipagin; Tegosept M; Moldex; Maseptol; Methyl parahydroxybenzoate; p-Hydroxybenzoic acid methyl ester; Preserval M; Preserval; Metaben; Methaben; Metoxyde
| 分子量 | 152.15 |
|---|---|
| XLogP3 | 2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 3 |
| 可旋转键数 | 2 |
| 精确质量 | 152.047344113 |
| 单同位素质量 | 152.047344113 |
| 拓扑极性表面积 | 46.5 |
| 重原子数 | 11 |
| 形式电荷 | 0 |
尼泊金甲酯 的 CAS 号为 99-76-3，分子式 C8H8O3，分子量 152.05 g/mol。 UNII A2I8C7HI9T; ChEBI 31835; InChIKey LXCFILQKKLGQFO-UHFFFAOYSA-N. 沸点: 270.5 °C (decomposes); 沸点: 275.00 °C. @ 760.00 mm Hg; 熔点: 125.2 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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