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4-methylvaleraldehyde · CAS 1119-16-0 · C6H12O. UNII T0AO9E93RH.
| CAS Registry Number | 1119-16-0 |
|---|---|
| PubChem CID | 129 |
| Molecular formula | C6H12O |
| IUPAC name | 4-methylpentanal |
| UNII (FDA) | T0AO9E93RH |
| Molecular Weight | 100.16 |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 100.088815002 |
| Monoisotopic Mass | 100.088815002 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 7 |
| Formal Charge | 0 |
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|
| Reported hazard statements | H225 (100%), H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
4-methylpentanal; 4-Methylvaleraldehyde; 1119-16-0; isocaproaldehyde; Pentanal, 4-methyl-; isohexanal; 4-Methyl valeraldehyde; Valeraldehyde, 4-methyl-; T0AO9E93RH; DTXSID8061509; CHEBI:17998; RefChem:791684; DTXCID6033245; 214-273-0; 4-Methyl-1-pentanal; 4-Methylpentan-1-one
CAS 1119-16-0; molecular formula C6H12O; molecular weight — g/mol.
4-methylpentanal, 4-Methylvaleraldehyde, 1119-16-0, isocaproaldehyde, Pentanal, 4-methyl-, isohexanal.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents.
Hazard statements reported: H225, H302, H315, H319, H335.
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.