4-(2,5-dimethylphenyl)-4-oxobutanoic acid (CAS 5394-59-2) — formula C12H14O3, molecular weight 206.24; category organic chemicals.
| CAS Number | 5394-59-2 |
|---|---|
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.24 |
| LogP | 1.8 |
| Category | Organic Chemicals |
4-(2,5-dimethylphenyl)-4-oxobutanoic acid is a carbon-based organic compound with CAS registry number 5394-59-2 and molecular formula C12H14O3 (molecular weight 206.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 5394-59-2
Its molecular formula C12H14O3 comprises 12 C, 14 H, 3 O atoms.
Also known as: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid · 4-(2,5-二甲基苯基)-4-氧代丁酸
Category: organic chemicals
The CAS registry number of 4-(2,5-dimethylphenyl)-4-oxobutanoic acid is 5394-59-2.
Molecular formula C12H14O3, molecular weight 206.24.
It is also registered under: 4-(2,5-dimethylphenyl)-4-oxobutanoic acid, 4-(2,5-二甲基苯基)-4-氧代丁酸.
Category: Organic Chemicals.
Independent reference data for 4-(2,5-dimethylphenyl)-4-oxobutanoic acid (CAS 5394-59-2), compiled from public chemistry databases.
| CAS Registry Number | 5394-59-2 |
|---|---|
| PubChem CID | 220095 |
| Molecular formula | C12H14O3 |
| IUPAC name | 4-(2,5-dimethylphenyl)-4-oxobutanoic acid |
| UNII (FDA) | HMS2884B19 |
| Molecular Weight | 206.24 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 206.094294304 |
| Monoisotopic Mass | 206.094294304 |
| Topological Polar Surface Area | 54.4 |
| Heavy Atom Count | 15 |
4-(2,5-Dimethylphenyl)-4-oxobutanoic acid; DTXSID70277444; RefChem:510785; DTXCID60228602; 633-047-6; 5394-59-2; 4-(2,5-Dimethyl-phenyl)-4-oxo-butyric acid; MFCD00020537; 4-(2,5-Dimethylphenyl)-4-oxobutyric acid; 4-(2,5-Xylyl)-4-oxobutanoic acid; MLS000756526; 4-(2,5-dimethylphenyl)-4-oxobutanoic acid (DBA); .beta.-(2,5-Dimethylbenzoyl)propionic acid; Propionic acid,5-dimethylbenzoyl)-; Benzenebutanoic acid,5-dimethyl-.gamma.-oxo-; NSC2365
| Reported hazard statements | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
4-(2,5-dimethylphenyl)-4-oxobutanoic acid · CAS 5394-59-2 · C12H14O3. UNII HMS2884B19.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 4-(2,5-二甲基苯基)-4-氧代丁酸