5-methylhexanoic acid (CAS 628-46-6) — formula C7H14O2, molecular weight 130.18; category organic chemicals.
| CAS Number | 628-46-6 |
|---|---|
| Molecular Formula | C7H14O2 |
| Molecular Weight | 130.18 |
| Melting Point | < -25 °C |
| Boiling Point | 216 °C |
| LogP | 2.2 |
| Category | Organic Chemicals |
5-methylhexanoic acid is a carbon-based organic compound with CAS registry number 628-46-6 and molecular formula C7H14O2 (molecular weight 130.18), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 628-46-6
Its molecular formula C7H14O2 comprises 7 C, 14 H, 2 O atoms.
Also known as: 5-methylhexanoic acid · 5-甲基己酸
Category: organic chemicals
The CAS registry number of 5-methylhexanoic acid is 628-46-6.
Molecular formula C7H14O2, molecular weight 130.18.
It is also registered under: 5-methylhexanoic acid, 5-甲基己酸.
Category: Organic Chemicals.
Independent reference data for 5-methylhexanoic acid (CAS 628-46-6), compiled from public chemistry databases.
| 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).
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-甲基己酸