p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)（CAS 55066-56-3）：分子式 C12H16O2、分子量 192.12 g/mol。
p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 是一种化工化合物，登记 CAS 号为 55066-56-3，分子式 C12H16O2（分子量 192.12 g/mol）。
登记 CAS 号：55066-56-3
其分子式 C12H16O2 由 12 个碳、16 个氢、2 个氧 组成。
别名/同义词：p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) · para-Cresyl isovalerate
p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) 的 CAS 登记号为 55066-56-3。
分子式 C12H16O2，分子量 192.12 g/mol。
别名/同义词：p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)、para-Cresyl isovalerate。
p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate)（CAS 55066-56-3）的公开数据库记录，列此仅供独立核对。
| GHS notification summary | 59.3% (54 / 91) |
|---|---|
| Reported hazard statements | H302 (39.6%) |
This chemical does not meet GHS hazard criteria for 59.3% (54 of 91) of all reports.
H302 (39.6%): Harmful if swallowed [Warning Acute toxicity, oral]
| 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 | 59.3% (54 / 91) |
| 沸点 | 103 °C (2 mm Hg) |
|---|---|
| 密度 | 0.977-0.987 |
| 折射率 | 1.485-1489 |
| CAS Registry Number | 55066-56-3 |
|---|---|
| PubChem CID | 62092 |
| 分子式 | C12H16O2 |
| 分子量 | 192.12 g/mol |
| IUPAC 名称 | (4-methylphenyl) 3-methylbutanoate |
| InChIKey | MVDPTWHTUYDLTL-UHFFFAOYSA-N |
| UNII（FDA） | C8JG0XTQ0Z |
| ChEBI 编号 | CHEBI:179912 |
| FEMA 编号 | 3387 |
| JECFA 编号 | 702 |
55066-56-3; p-Cresyl isovalerate; p-Tolyl isovalerate; 4-Methylphenyl 3-methylbutanoate; Cresyl isovalerate, p-; p-tolyl 3-methylbutyrate; Tolyl isovalerate, P-; FEMA No. 3387; C8JG0XTQ0Z; Methylphenyl 3-methylbutyrate, p-; Butanoic acid, 3-methyl-, 4-methylphenyl ester; Tolyl 3-methylbutyrate, p-; Cresyl 3-methylbutanoate, p-; NSC 32511; DTXSID6047159; AI3-24274
| 分子量 | 192.25 |
|---|---|
| XLogP3 | 3.5 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 192.115029749 |
| 单同位素质量 | 192.115029749 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 14 |
| 形式电荷 | 0 |
p-Methylphenyl 3-methylbutyrate (p-Cresyl isovalerate) is identified by CAS 55066-56-3, molecular formula C12H16O2 and molecular weight 192.12 g/mol. UNII C8JG0XTQ0Z; ChEBI 179912; InChIKey MVDPTWHTUYDLTL-UHFFFAOYSA-N. 沸点: 103 °C (2 mm Hg); 密度: 0.977-0.987; Refractive Index: 1.485-1489.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。