3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE (CAS 57696-89-6) — formula C9H14O2, molecular weight 154.21; category organic chemicals.
| CAS Number | 57696-89-6 |
|---|---|
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.21 |
| LogP | 1.4 |
| Category | Organic Chemicals |
3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE is a carbon-based organic compound with CAS registry number 57696-89-6 and molecular formula C9H14O2 (molecular weight 154.21), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 57696-89-6
Its molecular formula C9H14O2 comprises 9 C, 14 H, 2 O atoms.
Also known as: 3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE · 3,5,5-三甲基环己烷-1,2-二酮
Category: organic chemicals
The CAS registry number of 3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE is 57696-89-6.
Molecular formula C9H14O2, molecular weight 154.21.
It is also registered under: 3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE, 3,5,5-三甲基环己烷-1,2-二酮.
Category: Organic Chemicals.
Independent reference data for 3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE (CAS 57696-89-6), compiled from public chemistry databases.
| CAS Registry Number | 57696-89-6 |
|---|---|
| PubChem CID | 93772 |
| Molecular formula | C9H14O2 |
| IUPAC name | 3,5,5-trimethylcyclohexane-1,2-dione |
| UNII (FDA) | ST50408998 |
| Molecular Weight | 154.21 |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 154.099379685 |
| Monoisotopic Mass | 154.099379685 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 11 |
57696-89-6; 3,5,5-Trimethyl-1,2-cyclohexanedione; 1,2-Cyclohexanedione, 3,5,5-trimethyl-; DTXSID10863466; RefChem:486452; DTXCID10220439; 640-099-3; 3,5,5-trimethylcyclohexane-1,2-dione; MFCD02684972; CHEMBL191800; SCHEMBL4599771; BDBM22773; CHEBI:180437; WEUZZYGESXCTCU-UHFFFAOYSA-N; SBB056269; AKOS006228295
| Regulatory & Food Contact | FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/103 FAS 42-JECFA 51/353 |
|---|---|
| GHS notification summary | 1.6% (1 / 64) |
| GHS notification summary | 1.6% (1 / 64) |
|---|---|
| Reported hazard statements | H302 (60.9%), H317 (98.4%), H319 (60.9%) |
This chemical does not meet GHS hazard criteria for 1.6% (1 of 64) of reports.
H302 (60.9%): Harmful if swallowed [Warning Acute toxicity, oral]
3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE · CAS 57696-89-6 · C9H14O2. UNII ST50408998.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 3,5,5-三甲基环己烷-1,2-二酮