3,5,6,6-tetramethyl-4-methyleneheptan-2-one (CAS 81786-75-6) — formula C12H22O, molecular weight 182.30; category organic chemicals.
| CAS Number | 81786-75-6 |
|---|---|
| Molecular Formula | C12H22O |
| Molecular Weight | 182.30 |
| LogP | 3.8 |
| Applications | Fragrance Ingredients |
| Category | Organic Chemicals |
Documented applications: Fragrance Ingredients.
3,5,6,6-tetramethyl-4-methyleneheptan-2-one is a carbon-based organic compound with CAS registry number 81786-75-6 and molecular formula C12H22O (molecular weight 182.30), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81786-75-6
Its molecular formula C12H22O comprises 12 C, 22 H, 1 O atoms.
Also known as: 3,5,6,6-tetramethyl-4-methyleneheptan-2-one · 3,5,6,6-四甲基-4-亚甲基庚烷-2-酮
Category: organic chemicals
The CAS registry number of 3,5,6,6-tetramethyl-4-methyleneheptan-2-one is 81786-75-6.
Molecular formula C12H22O, molecular weight 182.30.
It is also registered under: 3,5,6,6-tetramethyl-4-methyleneheptan-2-one, 3,5,6,6-四甲基-4-亚甲基庚烷-2-酮.
Recorded applications: Fragrance Ingredients.
Category: Organic Chemicals.
Independent reference data for 3,5,6,6-tetramethyl-4-methyleneheptan-2-one (CAS 81786-75-6), compiled from public chemistry databases.
| CAS 号 | 81786-75-6 |
|---|---|
| PubChem CID | 3019018 |
| 分子式 | C12H22O |
| IUPAC 名称 | 3,5,6,6-tetramethyl-4-methylideneheptan-2-one |
| UNII（FDA） | NS00013234 |
| Molecular Weight | 182.30 |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 182.167065321 |
| Monoisotopic Mass | 182.167065321 |
| Topological Polar Surface Area | 17.1 |
| Heavy Atom Count | 13 |
81786-75-6; 3,5,6,6-Tetramethyl-4-methyleneheptan-2-one; EINECS 279-825-5; 2-Heptanone, 3,5,6,6-tetramethyl-4-methylene-; DTXSID8052564; RefChem:486468; DTXCID5031137; 279-825-5; 3,5,6,6-tetramethyl-4-methylideneheptan-2-one; 3,5,6,6-woody amylene; SCHEMBL163144; FRUPGGSBENIUTJ-UHFFFAOYSA-N; NS00013234
| 已通报的危害声明 | H317 (25.6%), H411 (39.2%), H412 (60.8%) |
|---|
3,5,6,6-四甲基-4-亚甲基庚烷-2-酮 · CAS 81786-75-6 · C12H22O. UNII NS00013234.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,5,6,6-四甲基-4-亚甲基庚烷-2-酮