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7-Methyloctanoic acid · CAS 693-19-6 · C9H18O2. UNII M3MIU88L6U.
| CAS Registry Number | 693-19-6 |
|---|---|
| PubChem CID | 33635 |
| Molecular formula | C9H18O2 |
| IUPAC name | 7-methyloctanoic acid |
| UNII (FDA) | M3MIU88L6U |
| Molecular Weight | 158.24 |
|---|---|
| XLogP3 | 3.3 |
| 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 |
| Regulatory & Food Contact | FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 884-JECFA 49/37 FAS 40-JECFA 49/189 |
|---|---|
| GHS notification summary | 18% (33 / 183) |
| GHS notification summary | 18% (33 / 183) |
|---|---|
| Reported hazard statements | H302 (59%), H315 (24.6%), H318 (58.5%), H319 (23%) |
This chemical does not meet GHS hazard criteria for 18% (33 of 183) of reports.
H302 (59%): Harmful if swallowed [Warning Acute toxicity, oral]
7-methyloctanoic acid; ISONONANOIC ACID; 693-19-6; 26896-18-4; isopelargonic acid; Octanoic acid, 7-methyl-; M3MIU88L6U; UNII-M3MIU88L6U; CHEBI:37108; DTXSID10883129; 7-methyl-octanoate; isononanate; isononanoate; isopelargonate; 7-Methylcaprylate; 7-Methyl caprylate
CAS 693-19-6; molecular formula C9H18O2; molecular weight — g/mol.
7-methyloctanoic acid, ISONONANOIC ACID, 693-19-6, 26896-18-4, isopelargonic acid, Octanoic acid, 7-methyl-.
Documented regulatory listings: FLAVOURING_AGENT: Flavouring Agent; No safety concern at current levels of intake when used as a flavouring agent; TRS 884-JECFA 49/37.
18% of GHS notifications report no hazard classification (33 of 183).
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.