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3-Methylglutaric acid · CAS 626-51-7 · C6H10O4. UNII 3Q0P190C7B. Melting Point: 80 - 82 °C; Collision Cross Section: 126.3 Ų [M-H]-; Collision Cross Section: 133 Ų [M-2H+Na]-.
| CAS Registry Number | 626-51-7 |
|---|---|
| PubChem CID | 12284 |
| Molecular formula | C6H10O4 |
| IUPAC name | 3-methylpentanedioic acid |
| UNII (FDA) | 3Q0P190C7B |
| Molecular Weight | 146.14 |
|---|---|
| XLogP3 | 0.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 146.05790880 |
| Monoisotopic Mass | 146.05790880 |
| Topological Polar Surface Area | 74.6 |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Melting Point | 80 - 82 °C |
|---|---|
| Collision Cross Section | 126.3 Ų [M-H]- |
| Collision Cross Section | 133 Ų [M-2H+Na]- |
| Collision Cross Section | 137.5 Ų [M+Na]+ |
| Reported hazard statements | H315 (100%), H319 (100%), H335 (97.8%) |
|---|
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
3-METHYLGLUTARIC ACID; 626-51-7; 3-Methylpentanedioic acid; Pentanedioic acid, 3-methyl-; beta-Methylglutaric acid; 3Q0P190C7B; NSC-14870; CHEBI:68566; DTXSID50211649; RefChem:94904; DTXCID30134140; 210-951-5; Methylglutaric acid; 3-methyl-pentanedioic acid; MFCD00002727; .beta.-Methylglutaric acid
CAS 626-51-7; molecular formula C6H10O4; molecular weight — g/mol.
3-METHYLGLUTARIC ACID, 626-51-7, 3-Methylpentanedioic acid, Pentanedioic acid, 3-methyl-, beta-Methylglutaric acid, 3Q0P190C7B.
Hazard statements reported: H315, H319, H335.
Melting Point: 80 - 82 °C; Collision Cross Section: 126.3 Ų [M-H]-; Collision Cross Section: 133 Ų [M-2H+Na]-; Collision Cross Section: 137.5 Ų [M+Na]+.
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.