4-methyloctanoic acid (CAS 54947-74-9) — formula C9H18O2, molecular weight 158.13 g/mol; category organic chemicals.
4-methyloctanoic acid (CAS 54947-74-9) is a organic chemicals. Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms. Its molecular weight is about 158.13 g/mol. Reported physicochemical data: boiling point around 149 °C (22 mmHg), LogP about 3. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 54947-74-9 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.13 g/mol |
| Boiling Point | 149 °C (22 mmHg) |
| LogP | 3 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
| Applications | agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering |
| Category | Organic Chemicals|Flavors |
Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
4-methyloctanoic acid is a carbon-based organic compound with CAS registry number 54947-74-9 and molecular formula C9H18O2 (molecular weight 158.13 g/mol), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 54947-74-9
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: 4-methyloctanoic acid · 4-甲基辛酸
Category: organic chemicals / food flavors
The CAS registry number of 4-methyloctanoic acid is 54947-74-9.
Molecular formula C9H18O2, molecular weight 158.13 g/mol.
It is also registered under: 4-methyloctanoic acid, 4-甲基辛酸.
Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.
Category: Organic Chemicals / Flavors.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for 4-methyloctanoic acid (CAS 54947-74-9), compiled from public chemistry databases.
| 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 |
| Boiling Point | 149 °C (22 mmHg) |
|---|---|
| Density | 0.900-0.908 (20 °C/20 °C) |
| Refractive Index | 1.433-1.440 |
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
| 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 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-甲基辛酸