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Isononyl acetate · CAS 40379-24-6 · C11H22O2. UNII 9HMD71U17Z.
| CAS Registry Number | 40379-24-6 |
|---|---|
| PubChem CID | 42745 |
| Molecular formula | C11H22O2 |
| IUPAC name | 3,5,5-trimethylhexyl acetate |
| UNII (FDA) | 9HMD71U17Z |
| Molecular Weight | 186.29 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 6 |
| Exact Mass | 186.161979940 |
| Monoisotopic Mass | 186.161979940 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Regulatory & Food Contact | EU Flavoring substances Flavoring Agents |
|---|---|
| GHS notification summary | 11.6% (192 / 1661) |
| GHS notification summary | 11.6% (192 / 1661) |
|---|---|
| Reported hazard statements | H315 (85.5%), H411 (86%) |
This chemical does not meet GHS hazard criteria for 11.6% (192 of 1661) of reports.
H315 (85.5%): Causes skin irritation [Warning Skin corrosion/irritation]
3,5,5-Trimethylhexyl acetate; Nonanyl acetate; 1-Hexanol, 3,5,5-trimethyl-, acetate; EINECS 261-245-9; DTXSID0041270; Acetic Acid 3,5,5-Trimethylhexyl Ester; 3,5,5-Trimethylhexan-1-ol acetate; UNII-9HMD71U17Z; BRN 1758391; VANORIS; 9HMD71U17Z; 1-Hexanol, 3,5,5-trimethyl-, 1-acetate; 3,5,5-Trimethyl-1-hexanol, acetate; DTXCID8021270; EC 261-245-9; ACETIC ACID, 3,5,5-TRIMETHYLHEXYL ESTER
CAS 40379-24-6; molecular formula C11H22O2; molecular weight — g/mol.
3,5,5-Trimethylhexyl acetate, Nonanyl acetate, 1-Hexanol, 3,5,5-trimethyl-, acetate, EINECS 261-245-9, DTXSID0041270, Acetic Acid 3,5,5-Trimethylhexyl Ester.
Documented regulatory listings: EU Flavoring substances; Flavoring Agents.
11.6% of GHS notifications report no hazard classification (192 of 1661).
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.