7-Methyloctanoic acid (CAS 26896-18-4) — formula C9H18O2, molecular weight 158.24; category organic chemicals.
| CAS Number | 26896-18-4 |
|---|---|
| Molecular Formula | C9H18O2 |
| Molecular Weight | 158.24 |
| LogP | 3.3 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Information on 2 consumer products that contain Isononanoic acid in the following categories is provided:, • Auto Products, General Manufacturing Information: Isononanoic acid: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Information on 2 consumer products that contain Isononanoic acid in the following categories is provided:, • Auto Products, General Manufacturing Information: Isononanoic acid: ACTIVE.
7-Methyloctanoic acid is a carbon-based organic compound with CAS registry number 26896-18-4 and molecular formula C9H18O2 (molecular weight 158.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 26896-18-4
Its molecular formula C9H18O2 comprises 9 C, 18 H, 2 O atoms.
Also known as: 7-Methyloctanoic acid · 7-甲基辛酸
Category: organic chemicals
The CAS registry number of 7-Methyloctanoic acid is 26896-18-4.
Molecular formula C9H18O2, molecular weight 158.24.
It is also registered under: 7-Methyloctanoic acid, 7-甲基辛酸.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Household Products: Information on 2 consumer products that contain Isononanoic acid in the following categories is provided:, • Auto Products, General Manufacturing Information: Isononanoic acid: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 7-Methyloctanoic acid (CAS 26896-18-4), compiled from public chemistry databases.
| CAS Registry Number | 26896-18-4 |
|---|---|
| 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 |
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
| 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 · CAS 26896-18-4 · C9H18O2. UNII M3MIU88L6U.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 7-甲基辛酸