3,5,5-trimethylcyclohex-3-en-1-one (CAS 471-01-2) — formula C9H14O, molecular weight 138.21; category organic chemicals.
| CAS Number | 471-01-2 |
|---|---|
| Molecular Formula | C9H14O |
| Molecular Weight | 138.21 |
| LogP | 1.6 |
| Category | Organic Chemicals |
3,5,5-trimethylcyclohex-3-en-1-one is a carbon-based organic compound with CAS registry number 471-01-2 and molecular formula C9H14O (molecular weight 138.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 471-01-2
Its molecular formula C9H14O comprises 9 C, 14 H, 1 O atoms.
Also known as: 3,5,5-trimethylcyclohex-3-en-1-one · 3,5,5-三甲基环己-3-en-1-酮
Category: organic chemicals
The CAS registry number of 3,5,5-trimethylcyclohex-3-en-1-one is 471-01-2.
Molecular formula C9H14O, molecular weight 138.21.
It is also registered under: 3,5,5-trimethylcyclohex-3-en-1-one, 3,5,5-三甲基环己-3-en-1-酮.
Category: Organic Chemicals.
Independent reference data for 3,5,5-trimethylcyclohex-3-en-1-one (CAS 471-01-2), compiled from public chemistry databases.
| CAS Registry Number | 471-01-2 |
|---|---|
| PubChem CID | 10108 |
| Molecular formula | C9H14O |
| IUPAC name | 3,5,5-trimethylcyclohex-3-en-1-one |
| UNII (FDA) | R817UQW62V |
| Molecular Weight | 138.21 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 138.104465066 |
| Monoisotopic Mass | 138.104465066 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 10 |
beta-Isophorone; 3,5,5-Trimethylcyclohex-3-en-1-one; 3,5,5-TRIMETHYL-3-CYCLOHEXEN-1-ONE; 3-Cyclohexen-1-one, 3,5,5-trimethyl-; .beta.-Isophorone; b-Isophorone; b-Phorone; .beta-Isophorone; EINECS 207-434-1; UNII-R817UQW62V; R817UQW62V; AI3-33979; DTXSID90197034; EC 207-434-1; 3,5,5-Trimethylcyclohex-3-enone; RefChem:119412
| Reported hazard statements | H302 (100%), H312 (100%), H319 (100%), H331 (100%), H335 (100%), H351 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
3,5,5-trimethylcyclohex-3-en-1-one · CAS 471-01-2 · C9H14O. UNII R817UQW62V.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,5,5-三甲基环己-3-en-1-酮