Phenethyl benzoate (CAS 94-47-3) — formula C15H14O2, molecular weight 226.10 g/mol.
Phenethyl benzoate is a chemical compound with CAS registry number 94-47-3 and molecular formula C15H14O2 (molecular weight 226.10 g/mol).
CAS number: 94-47-3
Its molecular formula C15H14O2 comprises 15 C, 14 H, 2 O atoms.
Also known as: Phenethyl benzoate · Benzoic acid, 2-phenylethyl ester
The CAS registry number of Phenethyl benzoate is 94-47-3.
Molecular formula C15H14O2, molecular weight 226.10 g/mol.
It is also registered under: Phenethyl benzoate, Benzoic acid, 2-phenylethyl ester.
Public-database records for Phenethyl benzoate (CAS 94-47-3), reproduced here for independent cross-checking.
| GHS 通报统计 | 82.7% (124 / 150) |
|---|---|
| 已通报的危害声明 | H411 (17.3%) |
| 法规与食品接触 | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT Flavoring Agents |
|---|---|
| GHS 通报统计 | 82.7% (124 / 150) |
| 沸点 | 189.00 °C. @ 12.00 mm Hg |
|---|---|
| LogP | 4.01 |
| CAS 号 | 94-47-3 |
|---|---|
| PubChem CID | 7194 |
| 分子式 | C15H14O2 |
| 分子量 | 226.10 g/mol |
| IUPAC 名称 | 2-phenylethyl benzoate |
| InChIKey | OSORMYZMWHVFOZ-UHFFFAOYSA-N |
| UNII(FDA) | 0C143929GK |
| ChEBI 编号 | CHEBI:156233 |
| FEMA 编号 | 2860 |
Phenethyl benzoate; 2-Phenylethyl benzoate; 94-47-3; Phenylethyl benzoate; Benzoic acid, 2-phenylethyl ester; Benzylcarbinyl benzoate; Phenethylbenzoate; Phenethyl alcohol, benzoate; BENZOIC ACID, PHENETHYL ESTER; Benzyl carbinyl benzoate; FEMA No. 2860; .beta.-Phenethyl benzoate; .beta.-Phenylethyl benzoate; 2-Fenylethylester kyseliny benzoove; DTXSID9047590; phenylethylbenzoate
| 分子量 | 226.27 |
|---|---|
| XLogP3 | 4 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 226.099379685 |
| 单同位素质量 | 226.099379685 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 17 |
| 形式电荷 | 0 |
苯甲酸-2-苯乙酯 的 CAS 号为 94-47-3,分子式 C15H14O2,分子量 226.10 g/mol。 UNII 0C143929GK; ChEBI 156233; InChIKey OSORMYZMWHVFOZ-UHFFFAOYSA-N. 沸点: 189.00 °C. @ 12.00 mm Hg; LogP: 4.01.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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