Phenethyl propionate (CAS 122-70-3) — formula C11H14O2, molecular weight 178.10 g/mol.
Phenethyl propionate is a chemical compound with CAS registry number 122-70-3 and molecular formula C11H14O2 (molecular weight 178.10 g/mol).
CAS number: 122-70-3
Its molecular formula C11H14O2 comprises 11 C, 14 H, 2 O atoms.
Also known as: Phenethyl propionate · PHENYL ETHYL PROPIONATE · 2-phenylethyl propionate
The CAS registry number of Phenethyl propionate is 122-70-3.
Molecular formula C11H14O2, molecular weight 178.10 g/mol.
It is also registered under: Phenethyl propionate, PHENYL ETHYL PROPIONATE, 2-phenylethyl propionate.
Public-database records for Phenethyl propionate (CAS 122-70-3), reproduced here for independent cross-checking.
| GHS notification summary | 100% (1564 / 1564) |
|---|
This chemical does not meet GHS hazard criteria for 100% (1564 of 1564) of all reports.
Reported as not meeting GHS hazard criteria by 1564 of 1564 companies. For more detailed information, please visit ECHA C&L website.
| 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 | 100% (1564 / 1564) |
| 沸点 | 244.00 to 245.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 244-245 °C |
| 熔点 | < 25 °C |
| 密度 | 1.02 at 25/25 °C |
| 密度 | 1.010-1.021 |
| 蒸气压 | 0.05 [mmHg] |
| 折射率 | 1.489-1.499 |
| CAS Registry Number | 122-70-3 |
|---|---|
| PubChem CID | 31225 |
| 分子式 | C11H14O2 |
| 分子量 | 178.10 g/mol |
| IUPAC 名称 | 2-phenylethyl propanoate |
| InChIKey | HVGZQCSMLUDISR-UHFFFAOYSA-N |
| UNII(FDA) | 9VFI60EUHW |
| ChEBI 编号 | CHEBI:173825 |
| FEMA 编号 | 2867 |
| JECFA 编号 | 990 |
2-Phenylethyl propionate; 122-70-3; Phenethyl propionate; 2-Phenylethyl propanoate; Propanoic acid, 2-phenylethyl ester; Phenylethyl propionate; Caswell No. 655D; FEMA No. 2867; UNII-9VFI60EUHW; NSC-404457; HSDB 7428; EINECS 204-567-7; phenyl ethyl propionate; DTXSID6035156; EPA Pesticide Chemical Code 102601; BRN 2097455
| 分子量 | 178.23 |
|---|---|
| XLogP3 | 2.8 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 5 |
| 精确质量 | 178.099379685 |
| 单同位素质量 | 178.099379685 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 13 |
| 形式电荷 | 0 |
Phenethyl propionate is identified by CAS 122-70-3, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII 9VFI60EUHW; ChEBI 173825; InChIKey HVGZQCSMLUDISR-UHFFFAOYSA-N. 沸点: 244.00 to 245.00 °C. @ 760.00 mm Hg; 沸点: 244-245 °C; 熔点: < 25 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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