丁酸-1-苯乙酯（CAS 3460-44-4）：分子式 C12H16O2、分子量 192.25。
| CAS号 | 3460-44-4 |
|---|---|
| 分子式 | C12H16O2 |
| 分子量 | 192.25 |
| 沸点 | 83-84 °C (3 mm Hg) |
| LogP | 2.8 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
丁酸-1-苯乙酯 是一种化工化合物，登记 CAS 号为 3460-44-4，分子式 C12H16O2（分子量 192.25）。
登记 CAS 号：3460-44-4
其分子式 C12H16O2 由 12 个碳、16 个氢、2 个氧 组成。
别名/同义词：丁酸-1-苯乙酯 · Styralyl butyrate
丁酸-1-苯乙酯 的 CAS 登记号为 3460-44-4。
分子式 C12H16O2，分子量 192.25。
别名/同义词：丁酸-1-苯乙酯、Styralyl butyrate。
登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
丁酸-1-苯乙酯（CAS 3460-44-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 3460-44-4 |
|---|---|
| PubChem CID | 570574 |
| Molecular formula | C12H16O2 |
| Molecular weight | 192.12 g/mol |
| IUPAC name | 1-phenylethyl butanoate |
| InChIKey | GGKADXREVJTZMF-UHFFFAOYSA-N |
| UNII (FDA) | NP1Z2SN9NP |
| ChEBI ID | CHEBI:179914 |
| FEMA number | 2686 |
| JECFA number | 803 |
| Molecular Weight | 192.25 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 192.115029749 |
| Monoisotopic Mass | 192.115029749 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 14 |
| Boiling Point | 83-84 °C (3 mm Hg) |
|---|---|
| Density | 0.977-0.997 |
| Refractive Index | 1.484-1.490 |
3460-44-4; 1-Phenylethyl butanoate; 1-Phenylethyl butyrate; alpha-Methylbenzyl butyrate; Styralyl butyrate; Butanoic acid, 1-phenylethyl ester; Methylphenylcarbinyl butyrate; FEMA No. 2686; alpha-Phenethyl butyrate; UNII-NP1Z2SN9NP; NP1Z2SN9NP; 1-Phenyl-1-ethyl butanoate; .alpha.-Methylbenzyl butyrate; EINECS 222-409-5; Butyric acid, alpha-methylbenzyl ester; Butyric acid, .alpha.-methylbenzyl ester
| Regulatory & Food Contact | 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 notification summary | 100% (89 / 89) |
| GHS notification summary | 100% (89 / 89) |
|---|
This chemical does not meet GHS hazard criteria for 100% (89 of 89) of all reports.
Reported as not meeting GHS hazard criteria by 89 of 89 companies. For more detailed information, please visit ECHA C&L website.
Styralyl butyrate is identified by CAS 3460-44-4, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII NP1Z2SN9NP; ChEBI 179914; InChIKey GGKADXREVJTZMF-UHFFFAOYSA-N. Boiling Point: 83-84 °C (3 mm Hg); Density: 0.977-0.997; Refractive Index: 1.484-1.490.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Styralyl butyrate