phenethyl phenylacetate (CAS 102-20-5) — formula C16H16O2, molecular weight 240.12 g/mol; category organic chemicals.
phenethyl phenylacetate is a carbon-based organic compound with CAS registry number 102-20-5 and molecular formula C16H16O2 (molecular weight 240.12 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 102-20-5
Its molecular formula C16H16O2 comprises 16 C, 16 H, 2 O atoms.
Also known as: phenethyl phenylacetate · Phenyl Ethyl Phenyl Acetate
Category: organic chemicals
The CAS registry number of phenethyl phenylacetate is 102-20-5.
Molecular formula C16H16O2, molecular weight 240.12 g/mol.
It is also registered under: phenethyl phenylacetate, Phenyl Ethyl Phenyl Acetate.
Category: Organic Chemicals.
Public-database records for phenethyl phenylacetate (CAS 102-20-5), reproduced here for independent cross-checking.
| GHS notification summary | 1.1% (21 / 1880) |
|---|---|
| Reported hazard statements | H411 (96.8%) |
This chemical does not meet GHS hazard criteria for 1.1% (21 of 1880) of reports.
H411 (96.8%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.1% (21 / 1880) |
| 沸点 | 324.00 to 325.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 325 °C |
| 熔点 | 28 °C |
| 密度 | 1.079-1.082 |
| 折射率 | 1.545-1.551 |
| CAS Registry Number | 102-20-5 |
|---|---|
| PubChem CID | 7601 |
| 分子式 | C16H16O2 |
| 分子量 | 240.12 g/mol |
| IUPAC 名称 | 2-phenylethyl 2-phenylacetate |
| InChIKey | ZOZIRNMDEZKZHM-UHFFFAOYSA-N |
| UNII（FDA） | 5J5OJ7GH15 |
| ChEBI 编号 | CHEBI:173735 |
| FEMA 编号 | 2866 |
| JECFA 编号 | 999 |
Phenethyl phenylacetate; 2-Phenylethyl phenylacetate; Benzeneacetic acid, 2-phenylethyl ester; 2-phenylethyl 2-phenylacetate; Phenylethyl phenylacetate; Phenylacetic acid, phenethyl ester; ACETIC ACID, PHENYL-, PHENETHYL ESTER; Benzylcarbinyl alpha-toluate; Phenethyl alpha-toluate; Benzylcarbinyl phenylacetate; 2-Phenylethyl alpha-toluate; 2-Phenylethyl benzeneacetate; FEMA No. 2866; NSC 6676; AI3-20106; .beta.-Phenylethyl phenylacetate
| 分子量 | 240.30 |
|---|---|
| XLogP3 | 3.9 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 6 |
| 精确质量 | 240.115029749 |
| 单同位素质量 | 240.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 18 |
| 形式电荷 | 0 |
phenethyl phenylacetate is identified by CAS 102-20-5, molecular formula C16H16O2 and molecular weight 240.12 g/mol. UNII 5J5OJ7GH15; ChEBI 173735; InChIKey ZOZIRNMDEZKZHM-UHFFFAOYSA-N. 沸点: 324.00 to 325.00 °C. @ 760.00 mm Hg; 沸点: 325 °C; 熔点: 28 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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