2-甲基庚酸（CAS 1188-02-9）：分子式 C8H16O2、分子量 144.21。
| CAS号 | 1188-02-9 |
|---|---|
| 分子式 | C8H16O2 |
| 分子量 | 144.21 |
| 熔点 | 15.00 °C. @ 760.00 mm Hg |
| 沸点 | 140.00 °C. @ 30.00 mm Hg |
| LogP | 2.9 |
| 应用领域 | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Heptanoic acid、2-methyl-: ACTIVE |
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Heptanoic acid、2-methyl-: ACTIVE。
2-甲基庚酸 是一种化工化合物，登记 CAS 号为 1188-02-9，分子式 C8H16O2（分子量 144.21）。
登记 CAS 号：1188-02-9
其分子式 C8H16O2 由 8 个碳、16 个氢、2 个氧 组成。
别名/同义词：2-甲基庚酸 · 2-methylheptanoic acid
2-甲基庚酸 的 CAS 登记号为 1188-02-9。
分子式 C8H16O2，分子量 144.21。
别名/同义词：2-甲基庚酸、2-methylheptanoic acid。
登记用途：Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、General Manufacturing Information: Heptanoic acid、2-methyl-: ACTIVE。
2-甲基庚酸（CAS 1188-02-9）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 1188-02-9 |
|---|---|
| PubChem CID | 14475 |
| Molecular formula | C8H16O2 |
| IUPAC name | 2-methylheptanoic acid |
| UNII (FDA) | 42C9131FOZ |
| FEMA number | 2706 |
| JECFA number | 1212 |
| Molecular Weight | 144.21 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 5 |
| Exact Mass | 144.115029749 |
| Monoisotopic Mass | 144.115029749 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 10 |
| Boiling Point | 140.00 °C. @ 30.00 mm Hg |
|---|---|
| Boiling Point | 121-122 °C (13 mm Hg) |
| Melting Point | 15.00 °C. @ 760.00 mm Hg |
| Density | 0.899-0.905 |
| Refractive Index | 1.420-1.427 |
2-METHYLHEPTANOIC ACID; 2-Methylenanthic acid; Heptanoic acid, 2-methyl-; alpha-Methylheptanoic acid; FEMA No. 2706; 42C9131FOZ; UNII-42C9131FOZ; EINECS 214-704-2; 2-METHYLHEPTANOIC ACID [FHFI]; DTXSID20862581; .ALPHA.-METHYLHEPTANOIC ACID; RefChem:88329; DTXCID30811323; (+-)-2-METHYLHEPTANOIC ACID; 214-704-2; NKBWMBRPILTCRD-UHFFFAOYSA-N
| 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 | 5.4% (79 / 1450) |
| GHS notification summary | 5.4% (79 / 1450) |
|---|---|
| Reported hazard statements | H315 (94.4%), H319 (91.4%) |
This chemical does not meet GHS hazard criteria for 5.4% (79 of 1450) of reports.
H315 (94.4%): Causes skin irritation [Warning Skin corrosion/irritation]
2-methylheptanoic acid · CAS 1188-02-9 · C8H16O2. UNII 42C9131FOZ. Boiling Point: 140.00 °C. @ 30.00 mm Hg; Boiling Point: 121-122 °C (13 mm Hg); Melting Point: 15.00 °C. @ 760.00 mm Hg.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: 2-methylheptanoic acid