2,6-dihydroxy-2,6-dimethylheptan-4-one (CAS 3682-91-5) — formula C9H18O3, molecular weight 174.24; category organic chemicals.
| CAS Number | 3682-91-5 |
|---|---|
| Molecular Formula | C9H18O3 |
| Molecular Weight | 174.24 |
| LogP | -0.3 |
| Applications | General Manufacturing Information: 4-Heptanone, 2, 6-dihydroxy-2, 6-dimethyl-: INACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: 4-Heptanone, 2, 6-dihydroxy-2, 6-dimethyl-: INACTIVE.
2,6-dihydroxy-2,6-dimethylheptan-4-one is a carbon-based organic compound with CAS registry number 3682-91-5 and molecular formula C9H18O3 (molecular weight 174.24), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 3682-91-5
Its molecular formula C9H18O3 comprises 9 C, 18 H, 3 O atoms.
Also known as: 2,6-dihydroxy-2,6-dimethylheptan-4-one · 三丙酮二醇
Category: organic chemicals
The CAS registry number of 2,6-dihydroxy-2,6-dimethylheptan-4-one is 3682-91-5.
Molecular formula C9H18O3, molecular weight 174.24.
It is also registered under: 2,6-dihydroxy-2,6-dimethylheptan-4-one, 三丙酮二醇.
Recorded applications: General Manufacturing Information: 4-Heptanone, 2, 6-dihydroxy-2, 6-dimethyl-: INACTIVE.
Category: Organic Chemicals.
Independent reference data for 2,6-dihydroxy-2,6-dimethylheptan-4-one (CAS 3682-91-5), compiled from public chemistry databases.
| CAS 号 | 3682-91-5 |
|---|---|
| PubChem CID | 77259 |
| 分子式 | C9H18O3 |
| IUPAC 名称 | 2,6-dihydroxy-2,6-dimethylheptan-4-one |
| UNII（FDA） | QQA5MG626B |
| Molecular Weight | 174.24 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 174.125594432 |
| Monoisotopic Mass | 174.125594432 |
| Topological Polar Surface Area | 57.5 |
| Heavy Atom Count | 12 |
2,6-Dihydroxy-2,6-dimethylheptan-4-one; 3682-91-5; 2,6-Dihydroxy-2,6-dimethyl-4-heptanone; Triacetone alcohol; 4-Heptanone, 2,6-dihydroxy-2,6-dimethyl-; EINECS 222-968-5; DTXSID2063133; RefChem:523564; DTXCID8039241; 222-968-5; 2,6-Dihydroxy-2,6-dimethyl-heptan-4-one; MFCD00046578; QQA5MG626B; SCHEMBL3673428; GSKOWRJEBKQTKZ-UHFFFAOYSA-N; AKOS006272918
| 已通报的危害声明 | H319 (100%) |
|---|
三丙酮二醇 · CAS 3682-91-5 · C9H18O3. UNII QQA5MG626B.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 三丙酮二醇