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4-METHYLHEXANOIC ACID · CAS 1561-11-1 · C7H14O2. UNII E1R4C4A1NO.
| CAS Registry Number | 1561-11-1 |
|---|---|
| PubChem CID | 15271 |
| Molecular formula | C7H14O2 |
| IUPAC name | 4-methylhexanoic acid |
| UNII (FDA) | E1R4C4A1NO |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 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 |
| Formal Charge | 0 |
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 68.7% (90 / 131) |
| GHS notification summary | 68.7% (90 / 131) |
|---|---|
| Reported hazard statements | H226 (30.5%), H314 (31.3%) |
This chemical does not meet GHS hazard criteria for 68.7% (90 of 131) of all reports.
H226 (30.5%): Flammable liquid and vapor [Warning Flammable liquids]
4-METHYLHEXANOIC ACID; 1561-11-1; Hexanoic acid, 4-methyl-; E1R4C4A1NO; NSC-249817; DTXSID70862692; RefChem:525598; (+-)-4-Methylhexanoic acid; DTXCID10811422; 216-336-8; 4-METHYLHEXANOICACID; 4-methyl-hexanoic acid; UNII-E1R4C4A1NO; MFCD00870848; d-4-Methylhexanoic acid; CHEBI:180001
CAS 1561-11-1; molecular formula C7H14O2; molecular weight — g/mol.
4-METHYLHEXANOIC ACID, 1561-11-1, Hexanoic acid, 4-methyl-, E1R4C4A1NO, NSC-249817, DTXSID70862692.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents.
68.7% of GHS notifications report no hazard classification (90 of 131).
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.