Methyl 4-methylvalerate（CAS 2412-80-8）：分子式 C7H14O2、分子量 130.10 g/mol。
Methyl 4-methylvalerate 是一种化工化合物，登记 CAS 号为 2412-80-8，分子式 C7H14O2（分子量 130.10 g/mol）。
登记 CAS 号：2412-80-8
其分子式 C7H14O2 由 7 个碳、14 个氢、2 个氧 组成。
别名/同义词：Methyl 4-methylvalerate · methyl 2-methylpentanoate
Methyl 4-methylvalerate 的 CAS 登记号为 2412-80-8。
分子式 C7H14O2，分子量 130.10 g/mol。
别名/同义词：Methyl 4-methylvalerate、methyl 2-methylpentanoate。
Methyl 4-methylvalerate（CAS 2412-80-8）的公开数据库记录，列此仅供独立核对。
| GHS notification summary | 0.1% (1 / 1414) |
|---|---|
| Reported hazard statements | H226 |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1414) of reports.
H226 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
| 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 | 0.1% (1 / 1414) |
| 沸点 | 139.00 to 140.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 142-143 °C |
| 密度 | 0.885-0.892 |
| 折射率 | 1.402-1.406 |
| CAS Registry Number | 2412-80-8 |
|---|---|
| PubChem CID | 17008 |
| 分子式 | C7H14O2 |
| 分子量 | 130.10 g/mol |
| IUPAC 名称 | methyl 4-methylpentanoate |
| InChIKey | KBCOVKHULBZKNY-UHFFFAOYSA-N |
| UNII（FDA） | J4R2BY5GJT |
| ChEBI 编号 | CHEBI:179994 |
| FEMA 编号 | 2721 |
| JECFA 编号 | 216 |
METHYL 4-METHYLPENTANOATE; Methyl 4-methylvalerate; 2412-80-8; Methyl isocaproate; Methyl isohexanoate; Methyl isobutylacetate; Pentanoic acid, 4-methyl-, methyl ester; Valeric acid, 4-methyl-, methyl ester; FEMA No. 2721; methyl 4-methyl valerate; J4R2BY5GJT; 4-methylpentanoic acid methyl ester; EINECS 219-320-9; DTXSID0062393; METHYL 4-METHYLVALERATE [FHFI]; Methyl isobutyl acetate
| 分子量 | 130.18 |
|---|---|
| XLogP3 | 2.1 |
| 氢键供体数 | 0 |
| 氢键受体数 | 2 |
| 可旋转键数 | 4 |
| 精确质量 | 130.099379685 |
| 单同位素质量 | 130.099379685 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
Methyl 4-methylvalerate is identified by CAS 2412-80-8, molecular formula C7H14O2 and molecular weight 130.10 g/mol. UNII J4R2BY5GJT; ChEBI 179994; InChIKey KBCOVKHULBZKNY-UHFFFAOYSA-N. 沸点: 139.00 to 140.00 °C. @ 760.00 mm Hg; 沸点: 142-143 °C; 密度: 0.885-0.892.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。