2-甲基丁酸辛酯（CAS 29811-50-5）：分子式 C13H26O2、分子量 214.34。
| CAS号 | 29811-50-5 |
|---|---|
| 分子式 | C13H26O2 |
| 分子量 | 214.34 |
| 沸点 | 250 °C |
| LogP | 4.9 |
2-甲基丁酸辛酯 是一种化工化合物，登记 CAS 号为 29811-50-5，分子式 C13H26O2（分子量 214.34）。
登记 CAS 号：29811-50-5
其分子式 C13H26O2 由 13 个碳、26 个氢、2 个氧 组成。
别名/同义词：2-甲基丁酸辛酯 · octyl 2-methylbutyrate
2-甲基丁酸辛酯 的 CAS 登记号为 29811-50-5。
分子式 C13H26O2，分子量 214.34。
别名/同义词：2-甲基丁酸辛酯、octyl 2-methylbutyrate。
2-甲基丁酸辛酯（CAS 29811-50-5）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 29811-50-5 |
|---|---|
| PubChem CID | 520455 |
| Molecular formula | C13H26O2 |
| Molecular weight | 214.19 g/mol |
| IUPAC name | octyl 2-methylbutanoate |
| InChIKey | BCOJVEMHTBSAOE-UHFFFAOYSA-N |
| UNII (FDA) | GY247262WX |
| ChEBI ID | CHEBI:89870 |
| FEMA number | 3604 |
| JECFA number | 209 |
| Molecular Weight | 214.34 |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 10 |
| Exact Mass | 214.193280068 |
| Monoisotopic Mass | 214.193280068 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 15 |
| Boiling Point | 250 °C |
|---|---|
| Density | 0.8577 (20 °C/20 °C) |
| Refractive Index | 1.425 |
Octyl 2-methylbutyrate; Octyl 2-methylbutanoate; Butanoic acid, 2-methyl-, octyl ester; n-Octyl 2-methyl butyrate; Butyric acid, 2-methyl-, octyl ester; FEMA No. 3604; Ent 33625; UNII-GY247262WX; n-octyl 2-methylbutanoate; GY247262WX; EINECS 249-872-6; AI3-33625; OCTYL 2-METHYLBUTYRATE [FHFI]; RefChem:167864; (+-)-OCTYL 2-METHYLBUTYRATE; OCTYL 2-METHYLBUTYRATE, (+-)-
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Mouthfeel No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 100% (90 / 90) |
| GHS notification summary | 100% (90 / 90) |
|---|
This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.
Reported as not meeting GHS hazard criteria by 90 of 90 companies. For more detailed information, please visit ECHA C&L website.
octyl 2-methylbutyrate is identified by CAS 29811-50-5, molecular formula C13H26O2 and molecular weight 214.19 g/mol. UNII GY247262WX; ChEBI 89870; InChIKey BCOJVEMHTBSAOE-UHFFFAOYSA-N. Boiling Point: 250 °C; Density: 0.8577 (20 °C/20 °C); Refractive Index: 1.425.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: octyl 2-methylbutyrate