3-甲基戊酸（CAS 105-43-1）：分子式 C6H12O2、分子量 116.16。
| CAS号 | 105-43-1 |
|---|---|
| 分子式 | C6H12O2 |
| 分子量 | 116.16 |
| 沸点 | 196.00 to 198.00 °C. @ 760.00 mm Hg |
| LogP | 1.6 |
3-甲基戊酸 是一种化工化合物，登记 CAS 号为 105-43-1，分子式 C6H12O2（分子量 116.16）。
登记 CAS 号：105-43-1
其分子式 C6H12O2 由 6 个碳、12 个氢、2 个氧 组成。
别名/同义词：3-甲基戊酸 · 3-Methylvaleric Acid
3-甲基戊酸 的 CAS 登记号为 105-43-1。
分子式 C6H12O2，分子量 116.16。
别名/同义词：3-甲基戊酸、3-Methylvaleric Acid。
3-甲基戊酸（CAS 105-43-1）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 105-43-1 |
|---|---|
| PubChem CID | 7755 |
| Molecular formula | C6H12O2 |
| IUPAC name | 3-methylpentanoic acid |
| UNII (FDA) | 85FS4Y39LJ |
| FEMA number | 3437 |
| JECFA number | 262 |
| Molecular Weight | 116.16 |
|---|---|
| XLogP3 | 1.6 |
| 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 | 196.00 to 198.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 197-198 °C |
| Density | 0.925-0.931 (20 °C/20 °C) |
| Refractive Index | 1.412-1.418 |
3-Methylvaleric acid; 105-43-1; 3-METHYLPENTANOIC ACID; Pentanoic acid, 3-methyl-; 3-methyl-pentanoic acid; 3-methyl valeric acid; Valeric acid, 3-methyl-; beta-Methylvaleric acid; Butylacetic acid, sec-; 2-Methylbutane-1-carboxylic acid; FEMA No. 3437; 85FS4Y39LJ; CHEBI:166883; DTXSID20861716; RefChem:94980; DTXCID60810602
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 1.6% (24 / 1461) |
| GHS notification summary | 1.6% (24 / 1461) |
|---|---|
| Reported hazard statements | H314 (98.4%) |
This chemical does not meet GHS hazard criteria for 1.6% (24 of 1461) of reports.
H314 (98.4%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
3-Methylvaleric Acid · CAS 105-43-1 · C6H12O2. UNII 85FS4Y39LJ. Boiling Point: 196.00 to 198.00 °C. @ 760.00 mm Hg; Boiling Point: 197-198 °C; Density: 0.925-0.931 (20 °C/20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 3-Methylvaleric Acid