2-甲基己酸（CAS 4536-23-6）：分子式 C7H14O2、分子量 130.18。
| CAS号 | 4536-23-6 |
|---|---|
| 分子式 | C7H14O2 |
| 分子量 | 130.18 |
| 沸点 | 105 °C (5 mm Hg) |
| LogP | 2.3 |
| 应用领域 | Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Hexanoic acid、2-methyl-: ACTIVE |
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Hexanoic acid、2-methyl-: ACTIVE。
2-甲基己酸 是一种化工化合物，登记 CAS 号为 4536-23-6，分子式 C7H14O2（分子量 130.18）。
登记 CAS 号：4536-23-6
其分子式 C7H14O2 由 7 个碳、14 个氢、2 个氧 组成。
别名/同义词：2-甲基己酸 · 2-Methylhexanoic acid
2-甲基己酸 的 CAS 登记号为 4536-23-6。
分子式 C7H14O2，分子量 130.18。
别名/同义词：2-甲基己酸、2-Methylhexanoic acid。
登记用途：Use Classification: Fragrance Ingredients、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Hexanoic acid、2-methyl-: ACTIVE。
2-甲基己酸（CAS 4536-23-6）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 4536-23-6 |
|---|---|
| PubChem CID | 20653 |
| Molecular formula | C7H14O2 |
| Molecular weight | 130.10 g/mol |
| IUPAC name | 2-methylhexanoic acid |
| InChIKey | CVKMFSAVYPAZTQ-UHFFFAOYSA-N |
| UNII (FDA) | LUK37N0QM8 |
| ChEBI ID | CHEBI:138489 |
| FEMA number | 3191 |
| JECFA number | 265 |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 2.3 |
| 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 | 105 °C (5 mm Hg) |
|---|---|
| Density | 0.914-0.918 (20 °C/20 °C) |
| Refractive Index | 1.419-1.422 (20 °C) |
2-METHYLHEXANOIC ACID; 4536-23-6; 2-Methylcaproic acid; Hexanoic acid, 2-methyl-; 2-Hexanecarboxylic acid; alpha-Methylcaproic acid; 2-methyl-hexanoic acid; FEMA No. 3191; .alpha.-Methylcaproic acid; DTXSID9044241; EINECS 224-883-9; LUK37N0QM8; BRN 1721227; DTXCID7024241; CVKMFSAVYPAZTQ-UHFFFAOYSA-; 2-METHYLHEXANOIC ACID [FHFI]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVOR ENHANCER, 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 | 0.3% (5 / 1924) |
| GHS notification summary | 0.3% (5 / 1924) |
|---|---|
| Reported hazard statements | H315 (91%), H318 (25.6%), H319 (68%) |
This chemical does not meet GHS hazard criteria for 0.3% (5 of 1924) of reports.
H315 (91%): Causes skin irritation [Warning Skin corrosion/irritation]
2-Methylhexanoic acid is identified by CAS 4536-23-6, molecular formula C7H14O2 and molecular weight 130.10 g/mol. UNII LUK37N0QM8; ChEBI 138489; InChIKey CVKMFSAVYPAZTQ-UHFFFAOYSA-N. Boiling Point: 105 °C (5 mm Hg); Density: 0.914-0.918 (20 °C/20 °C); Refractive Index: 1.419-1.422 (20 °C).
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-Methylhexanoic acid