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Neoheptanoic acid · CAS 33113-10-9 · C7H14O2. UNII JN8N5LSU6J.
| CAS Registry Number | 33113-10-9 |
|---|---|
| PubChem CID | 14237 |
| Molecular formula | C7H14O2 |
| IUPAC name | 4,4-dimethylpentanoic acid |
| UNII (FDA) | JN8N5LSU6J |
| Molecular Weight | 130.18 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 130.099379685 |
| Monoisotopic Mass | 130.099379685 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Reported hazard statements | H315 (60%), H318 (40%), H319 (60%), H335 (60%) |
|---|
H315 (60%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (40%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
4,4-dimethylpentanoic acid; 1118-47-4; Pentanoic acid, 4,4-dimethyl-; DTXSID30880579; RefChem:507455; DTXCID309844; 827-415-7; Neoheptanoic acid; 4,4-dimethyl valeric acid; 4,4-dimethyl-pentanoic acid; MFCD00101613; 4,4-DIMETHYLVALERIC ACID; NSC-65454; 4,4-DIMETHYLPENTANOICACID; C6-8-Neocarboxylic acids; JN8N5LSU6J
CAS 33113-10-9; molecular formula C7H14O2; molecular weight — g/mol.
4,4-dimethylpentanoic acid, 1118-47-4, Pentanoic acid, 4,4-dimethyl-, DTXSID30880579, RefChem:507455, DTXCID309844.
Hazard statements reported: H315, H318, 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.