2-甲基戊酸甲酯（CAS 2177-77-7）：分子式 C7H14O2、分子量 130.18。
| CAS号 | 2177-77-7 |
|---|---|
| 分子式 | C7H14O2 |
| 分子量 | 130.18 |
| 沸点 | 45.00 °C. @ 0.20 mm Hg |
| LogP | 2.1 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
2-甲基戊酸甲酯 是一种化工化合物，登记 CAS 号为 2177-77-7，分子式 C7H14O2（分子量 130.18）。
登记 CAS 号：2177-77-7
其分子式 C7H14O2 由 7 个碳、14 个氢、2 个氧 组成。
别名/同义词：2-甲基戊酸甲酯 · Methyl 2-methylvalerate
2-甲基戊酸甲酯 的 CAS 登记号为 2177-77-7。
分子式 C7H14O2，分子量 130.18。
别名/同义词：2-甲基戊酸甲酯、Methyl 2-methylvalerate。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index。
2-甲基戊酸甲酯（CAS 2177-77-7）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 2177-77-7 |
|---|---|
| PubChem CID | 519890 |
| Molecular formula | C7H14O2 |
| IUPAC name | methyl 2-methylpentanoate |
| UNII (FDA) | 25KKE63345 |
| FEMA number | 3707 |
| JECFA number | 213 |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099379685 |
| Monoisotopic Mass | 130.099379685 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 45.00 °C. @ 0.20 mm Hg |
|---|---|
| Boiling Point | 148 °C |
| Density | 0.875-0.881 |
| Refractive Index | 1.400-1.405 |
Methyl 2-methylpentanoate; 2177-77-7; Methyl 2-methylvalerate; 2-Methylpentanoic acid methyl ester; Pentanoic acid, 2-methyl-, methyl ester; FEMA No. 3707; 25KKE63345; methylpentanoic acid methyl ester; UNII-25KKE63345; FEMA 3707; DTXSID90862856; EINECS 218-543-9; METHYL 2-METHYLPENTANOATE [FHFI]; AI3-28502; .ALPHA.-METHYLPENTANOIC ACID METHYL ESTER; RefChem:157365
| 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 | 56.3% (89 / 158) |
| GHS notification summary | 56.3% (89 / 158) |
|---|---|
| Reported hazard statements | H226 (43.7%) |
This chemical does not meet GHS hazard criteria for 56.3% (89 of 158) of all reports.
H226 (43.7%): Flammable liquid and vapor [Warning Flammable liquids]
Methyl 2-methylvalerate · CAS 2177-77-7 · C7H14O2. UNII 25KKE63345. Boiling Point: 45.00 °C. @ 0.20 mm Hg; Boiling Point: 148 °C; Density: 0.875-0.881.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: Methyl 2-methylvalerate