o-Tolyl isobutyrate（CAS 36438-54-7）：分子式 C11H14O2、分子量 178.10 g/mol。
o-Tolyl isobutyrate 是一种化工化合物，登记 CAS 号为 36438-54-7，分子式 C11H14O2（分子量 178.10 g/mol）。
登记 CAS 号：36438-54-7
其分子式 C11H14O2 由 11 个碳、14 个氢、2 个氧 组成。
别名/同义词：o-Tolyl isobutyrate · Propanoic acid, 2-methyl-, 2-methylphenyl ester
o-Tolyl isobutyrate 的 CAS 登记号为 36438-54-7。
分子式 C11H14O2，分子量 178.10 g/mol。
别名/同义词：o-Tolyl isobutyrate、Propanoic acid, 2-methyl-, 2-methylphenyl ester。
o-Tolyl isobutyrate（CAS 36438-54-7）的公开数据库记录，列此仅供独立核对。
| 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.
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 901-JECFA 55/44 |
|---|---|
| GHS notification summary | 100% (89 / 89) |
| 沸点 | 107.00 to 108.00 °C. @ 8.00 mm Hg |
|---|---|
| 沸点 | 107 °C (8 mm Hg) |
| 密度 | 1.000-1.007 |
| 折射率 | 1.482-1.488 |
| CAS Registry Number | 36438-54-7 |
|---|---|
| PubChem CID | 61954 |
| 分子式 | C11H14O2 |
| 分子量 | 178.10 g/mol |
| IUPAC 名称 | (2-methylphenyl) 2-methylpropanoate |
| InChIKey | FDJBDZVTTXWIQM-UHFFFAOYSA-N |
| UNII（FDA） | X2ORQ6I00S |
| ChEBI 编号 | CHEBI:173828 |
| FEMA 编号 | 3753 |
| JECFA 编号 | 700 |
o-Tolyl isobutyrate; 2-Methylphenyl 2-methylpropanoate; 36438-54-7; (2-methylphenyl) 2-methylpropanoate; o-cresyl isobutyrate; Cresyl isobutyrate, o-; Tolyl 2-methylpropanoate, o-; Methylphenyl isobutyrate, o-; FEMA No. 3753; Propanoic acid, 2-methyl-, 2-methylphenyl ester; O-Methylphenyl isobutyrate; UNII-X2ORQ6I00S; X2ORQ6I00S; AI3-21544; DTXSID30189958; O-TOLYL ISOBUTYRATE [FHFI]
| 分子量 | 178.23 |
|---|---|
| XLogP3 | 2.7 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 3 |
| 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 |
o-Tolyl isobutyrate is identified by CAS 36438-54-7, molecular formula C11H14O2 and molecular weight 178.10 g/mol. UNII X2ORQ6I00S; ChEBI 173828; InChIKey FDJBDZVTTXWIQM-UHFFFAOYSA-N. 沸点: 107.00 to 108.00 °C. @ 8.00 mm Hg; 沸点: 107 °C (8 mm Hg); 密度: 1.000-1.007.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。