Methyl p-anisate (CAS 121-98-2) — formula C9H10O3, molecular weight 166.06 g/mol.
Methyl p-anisate is a chemical compound with CAS registry number 121-98-2 and molecular formula C9H10O3 (molecular weight 166.06 g/mol).
CAS number: 121-98-2
Its molecular formula C9H10O3 comprises 9 C, 10 H, 3 O atoms.
Also known as: Methyl p-anisate · Methyl p-methoxybenzoate
The CAS registry number of Methyl p-anisate is 121-98-2.
Molecular formula C9H10O3, molecular weight 166.06 g/mol.
It is also registered under: Methyl p-anisate, Methyl p-methoxybenzoate.
Public-database records for Methyl p-anisate (CAS 121-98-2), reproduced here for independent cross-checking.
| GHS 通报统计 | 100% (170 / 170) |
|---|
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Fruit No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS 通报统计 | 100% (170 / 170) |
| 沸点 | 244.00 to 245.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 255 °C |
| 熔点 | 48 °C |
| 溶解度 | 0.643 mg/mL at 20 °C |
| LogP | 2.27 |
| CAS 号 | 121-98-2 |
|---|---|
| PubChem CID | 8499 |
| 分子式 | C9H10O3 |
| 分子量 | 166.06 g/mol |
| IUPAC 名称 | methyl 4-methoxybenzoate |
| InChIKey | DDIZAANNODHTRB-UHFFFAOYSA-N |
| UNII（FDA） | 2MFL7873W9 |
| ChEBI 编号 | CHEBI:86903 |
| FEMA 编号 | 2679 |
| JECFA 编号 | 884 |
METHYL 4-METHOXYBENZOATE; 121-98-2; Methyl anisate; Methyl p-anisate; Benzoic acid, 4-methoxy-, methyl ester; Methyl p-methoxybenzoate; 4-Methoxybenzoic acid methyl ester; Methyl 4-Anisate; p-Anisic acid, methyl ester; p-Methoxybenzoic acid methyl ester; anisate; FEMA No. 2679; Benzoic acid, p-methoxy-, methyl ester; NSC 7324; NSC-7324; 4-methoxy methylbenzoate
| 分子量 | 166.17 |
|---|---|
| XLogP3 | 2.3 |
| 氢键供体数 | 0 |
| 氢键受体数 | 3 |
| 可旋转键数 | 3 |
| 精确质量 | 166.062994177 |
| 单同位素质量 | 166.062994177 |
| 拓扑极性表面积 | 35.5 |
| 重原子数 | 12 |
| 形式电荷 | 0 |
对茴香酸甲酯，对甲氧基苯甲酸甲酯，4-甲氧基苯甲酸甲酯，大茴香酸甲酯 的 CAS 号为 121-98-2，分子式 C9H10O3，分子量 166.06 g/mol。 UNII 2MFL7873W9; ChEBI 86903; InChIKey DDIZAANNODHTRB-UHFFFAOYSA-N. 沸点: 244.00 to 245.00 °C. @ 760.00 mm Hg; 沸点: 255 °C; 熔点: 48 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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