2-甲基戊酸(CAS 97-61-0):分子式 C6H12O2、分子量 116.16。
| CAS号 | 97-61-0 |
|---|---|
| 分子式 | C6H12O2 |
| 分子量 | 116.16 |
| 沸点 | 196-197 °C |
| LogP | 1.8 |
2-甲基戊酸 是一种化工化合物,登记 CAS 号为 97-61-0,分子式 C6H12O2(分子量 116.16)。
登记 CAS 号:97-61-0
其分子式 C6H12O2 由 6 个碳、12 个氢、2 个氧 组成。
别名/同义词:2-甲基戊酸 · 2-Methylpentanoic acid · 2-METHYLVALERIC ACID
2-甲基戊酸 的 CAS 登记号为 97-61-0。
分子式 C6H12O2,分子量 116.16。
别名/同义词:2-甲基戊酸、2-Methylpentanoic acid、2-METHYLVALERIC ACID。
2-甲基戊酸(CAS 97-61-0)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 97-61-0 |
|---|---|
| PubChem CID | 7341 |
| Molecular formula | C6H12O2 |
| Molecular weight | 116.08 g/mol |
| IUPAC name | 2-methylpentanoic acid |
| InChIKey | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| UNII (FDA) | 26A19CG6J9 |
| ChEBI ID | CHEBI:167644 |
| FEMA number | 2754 |
| JECFA number | 261 |
| Molecular Weight | 116.16 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 116.083729621 |
| Monoisotopic Mass | 116.083729621 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 8 |
| Boiling Point | 196-197 °C |
|---|---|
| Density | 0.919-0.922 |
| Vapor Pressure | 0.44 [mmHg] |
| LogP | 1.8 |
| Refractive Index | 1.411-1.416 |
2-Methylpentanoic acid; 2-METHYLVALERIC ACID; 97-61-0; Pentanoic acid, 2-methyl-; 2-Pentanecarboxylic acid; Methylpropylacetic acid; Valeric acid, 2-methyl-; alpha-Methylvaleric acid; FEMA No. 2754; DTXSID9021633; 26A19CG6J9; NSC-8406; DTXCID401633; CHEBI:167644; RefChem:476306; 202-594-9
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Dairy No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.5% (24 / 1615) |
| GHS notification summary | 1.5% (24 / 1615) |
|---|---|
| Reported hazard statements | H314 (98.5%), H318 (11.5%) |
This chemical does not meet GHS hazard criteria for 1.5% (24 of 1615) of reports.
H314 (98.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
2-METHYLVALERIC ACID is identified by CAS 97-61-0, molecular formula C6H12O2 and molecular weight 116.08 g/mol. UNII 26A19CG6J9; ChEBI 167644; InChIKey OVBFMEVBMNZIBR-UHFFFAOYSA-N. Boiling Point: 196-197 °C; Density: 0.919-0.922; Vapor Pressure: 0.44 [mmHg].
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 2-Methylpentanoic acid