4-甲基辛酸，CAS 登记号 54947-74-9，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于食用香精；有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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本页已列出 4-甲基辛酸 的 CAS 号：54947-74-9，可与随货 COA 核对。
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4-methyloctanoic acid is identified by CAS 54947-74-9, molecular formula C9H18O2 and molecular weight 158.13 g/mol. UNII 5545264N9R; ChEBI 179879; InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N. Boiling Point: 149 °C (22 mmHg); Density: 0.900-0.908 (20 °C/20 °C); Refractive Index: 1.433-1.440.
| CAS Registry Number | 54947-74-9 |
|---|---|
| PubChem CID | 62089 |
| Molecular formula | C9H18O2 |
| Molecular weight | 158.13 g/mol |
| IUPAC name | 4-methyloctanoic acid |
| InChIKey | LEGGANXCVQPIAI-UHFFFAOYSA-N |
| UNII (FDA) | 5545264N9R |
| ChEBI ID | CHEBI:179879 |
| FEMA number | 3575 |
| JECFA number | 271 |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 158.130679813 |
| Monoisotopic Mass | 158.130679813 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Boiling Point | 149 °C (22 mmHg) |
|---|---|
| Density | 0.900-0.908 (20 °C/20 °C) |
| Refractive Index | 1.433-1.440 |
| 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 | 0.1% (2 / 1470) |
| GHS notification summary | 0.1% (2 / 1470) |
|---|---|
| Reported hazard statements | H314 (99.9%) |
This chemical does not meet GHS hazard criteria for 0.1% (2 of 1470) of reports.
H314 (99.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
4-Methyloctanoic acid; 54947-74-9; Octanoic acid, 4-methyl-; 4-Methylcaprylic acid; 4-methyl-octanoic acid; FEMA No. 3575; 5545264N9R; DTXSID70866453; RefChem:99908; DTXCID50814735; 259-404-2; 4-Methyl-n-octanoic Acid; HIRCINOIC ACID; 4-methyl octanoic acid; MFCD00051938; (+/-)-4-Methyloctanoic acid
CAS 54947-74-9; molecular formula C9H18O2; molecular weight 158.13 g/mol.
4-Methyloctanoic acid, 54947-74-9, Octanoic acid, 4-methyl-, 4-Methylcaprylic acid, 4-methyl-octanoic acid, FEMA No. 3575.
Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.
0.1% of GHS notifications report no hazard classification (2 of 1470).
Boiling Point: 149 °C (22 mmHg); Density: 0.900-0.908 (20 °C/20 °C); Refractive Index: 1.433-1.440.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.