3,3-Dimethyl-1-phenylbutan-2-one (CAS 6721-67-1) — formula C12H16O, molecular weight 176.25; category organic chemicals.
| CAS Number | 6721-67-1 |
|---|---|
| Molecular Formula | C12H16O |
| Molecular Weight | 176.25 |
| LogP | 2.8 |
| Category | Organic Chemicals |
3,3-Dimethyl-1-phenylbutan-2-one is a carbon-based organic compound with CAS registry number 6721-67-1 and molecular formula C12H16O (molecular weight 176.25), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6721-67-1
Its molecular formula C12H16O comprises 12 C, 16 H, 1 O atoms.
Also known as: 3,3-Dimethyl-1-phenylbutan-2-one · 3,3-二甲基-1-苯基丁-2-酮
Category: organic chemicals
The CAS registry number of 3,3-Dimethyl-1-phenylbutan-2-one is 6721-67-1.
Molecular formula C12H16O, molecular weight 176.25.
It is also registered under: 3,3-Dimethyl-1-phenylbutan-2-one, 3,3-二甲基-1-苯基丁-2-酮.
Category: Organic Chemicals.
Independent reference data for 3,3-Dimethyl-1-phenylbutan-2-one (CAS 6721-67-1), compiled from public chemistry databases.
| CAS Registry Number | 6721-67-1 |
|---|---|
| PubChem CID | 10171281 |
| Molecular formula | C12H16O |
| IUPAC name | 3,3-dimethyl-1-phenylbutan-2-one |
| UNII (FDA) | Z513735850 |
| Molecular Weight | 176.25 |
|---|---|
| XLogP3 | 2.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 176.120115130 |
| Monoisotopic Mass | 176.120115130 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 13 |
3,3-dimethyl-1-phenylbutan-2-one; 6721-67-1; DTXSID50436310; RefChem:270356; DTXCID90387135; 818-267-4; benzyl-t-butylketone; 1-phenyl-3,3-dimethyl-butan-2-one; SCHEMBL421512; SCHEMBL855690; XPHFHIMIUFOEEN-UHFFFAOYSA-N; GAA72167; AKOS010014296; EN300-66073; Z513735850
| 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]
3,3-Dimethyl-1-phenylbutan-2-one · CAS 6721-67-1 · C12H16O. UNII Z513735850.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,3-二甲基-1-苯基丁-2-酮