3,5,5-三甲基环己烷-1,2-二酮，CAS 登记号 57696-89-6，由济南圣和化工有限公司现货供应，可提供纯度 按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。
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3,5,5-TRIMETHYLCYCLOHEXANE-1,2-DIONE · CAS 57696-89-6 · C9H14O2. UNII ST50408998.
| 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 |
| Formal Charge | 0 |
| 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]
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
CAS 57696-89-6; molecular formula C9H14O2; molecular weight — g/mol.
57696-89-6, 3,5,5-Trimethyl-1,2-cyclohexanedione, 1,2-Cyclohexanedione, 3,5,5-trimethyl-, DTXSID10863466, RefChem:486452, DTXCID10220439.
Documented regulatory listings: FLAVOURING_AGENT: Flavouring Agent; No safety concern at current levels of intake when used as a flavouring agent; TRS 891-JECFA 51/103.
1.6% of GHS notifications report no hazard classification (1 of 64).
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.