5-甲基己酸(CAS 628-46-6):分子式 C7H14O2、分子量 130.18。
| CAS号 | 628-46-6 |
|---|---|
| 分子式 | C7H14O2 |
| 分子量 | 130.18 |
| 熔点 | < -25 °C |
| 沸点 | 216 °C |
| LogP | 2.2 |
5-甲基己酸 是一种化工化合物,登记 CAS 号为 628-46-6,分子式 C7H14O2(分子量 130.18)。
登记 CAS 号:628-46-6
其分子式 C7H14O2 由 7 个碳、14 个氢、2 个氧 组成。
别名/同义词:5-甲基己酸 · 5-methylhexanoic acid
5-甲基己酸 的 CAS 登记号为 628-46-6。
分子式 C7H14O2,分子量 130.18。
别名/同义词:5-甲基己酸、5-methylhexanoic acid。
5-甲基己酸(CAS 628-46-6)的独立参考数据,整理自公开化学数据库。
| CAS Registry Number | 628-46-6 |
|---|---|
| PubChem CID | 12344 |
| Molecular formula | C7H14O2 |
| IUPAC name | 5-methylhexanoic acid |
| UNII (FDA) | N1AK4X34C2 |
| FEMA number | 3572 |
| JECFA number | 266 |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 130.099379685 |
| Monoisotopic Mass | 130.099379685 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 9 |
| Boiling Point | 216 °C |
|---|---|
| Melting Point | < -25 °C |
| Density | 0.912 (24 °C) |
| Refractive Index | 1.422 |
5-METHYLHEXANOIC ACID; 628-46-6; Isoenanthic acid; 5-Methylcaproic acid; Isoamylacetic acid; Hexanoic acid, 5-methyl-; 5-Methyl hexanoic acid; Isovenanthic acid; 5-methyl-hexanoic acid; 5-Methylhexylic acid; FEMA No. 3572; N1AK4X34C2; DTXSID8044252; NSC-1075; DTXCID6024252; RefChem:103197
| 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 | 2.1% (1 / 48) |
| GHS notification summary | 2.1% (1 / 48) |
|---|---|
| Reported hazard statements | H314 (12.5%), H318 (87.5%) |
This chemical does not meet GHS hazard criteria for 2.1% (1 of 48) of reports.
H314 (12.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
5-methylhexanoic acid · CAS 628-46-6 · C7H14O2. UNII N1AK4X34C2. Boiling Point: 216 °C; Melting Point: < -25 °C; Density: 0.912 (24 °C).
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 5-methylhexanoic acid