2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone (CAS 4883-60-7) — formula C9H14O2, molecular weight 154.10 g/mol.
| CAS Number | 4883-60-7 |
|---|---|
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.10 g/mol |
| Melting Point | 89 - 91 °C |
| Boiling Point | 214.00 to 215.00 °C. @ 760.00 mm Hg |
| LogP | 1.630 |
| Applications | Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes |
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone is a chemical compound with CAS registry number 4883-60-7 and molecular formula C9H14O2 (molecular weight 154.10 g/mol).
CAS number: 4883-60-7
Its molecular formula C9H14O2 comprises 9 C, 14 H, 2 O atoms.
Also known as: 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone · 烟酮
The CAS registry number of 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone is 4883-60-7.
Molecular formula C9H14O2, molecular weight 154.10 g/mol.
It is also registered under: 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone, 烟酮.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Independent reference data for 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone (CAS 4883-60-7), compiled from public chemistry databases.
| CAS Registry Number | 4883-60-7 |
|---|---|
| PubChem CID | 551084 |
| Molecular formula | C9H14O2 |
| Molecular weight | 154.10 g/mol |
| IUPAC name | 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one |
| InChIKey | DWGZTTFGUFHAJX-UHFFFAOYSA-N |
| UNII (FDA) | 5RIP7E0O7J |
| ChEBI ID | CHEBI:180438 |
| FEMA number | 3459 |
| JECFA number | 426 |
| Molecular Weight | 154.21 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 154.099379685 |
| Monoisotopic Mass | 154.099379685 |
| Topological Polar Surface Area | 37.3 |
| Heavy Atom Count | 11 |
| Boiling Point | 214.00 to 215.00 °C. @ 760.00 mm Hg |
|---|---|
| Boiling Point | 90-100 °C (15 mm Hg) |
| Melting Point | 89 - 91 °C |
| LogP | 1.630 |
4883-60-7; 2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one; 2-Hydroxyisophorone; 2-Cyclohexen-1-one, 2-hydroxy-3,5,5-trimethyl-; 2-hydroxy-3,5,5-trimethylcyclohex-2-en-1-one; 2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone; FEMA No. 3459; 5RIP7E0O7J; DTXSID30197614; 2-HYDROXY-3,5,5-TRIMETHYL-1,2-CYCLOHEXENONE [FHFI]; RefChem:473102; DTXCID90120105; 2-HYDROXY-3,5,5-TRIMETHYL-1,2-CYCLOHEXENONE; 610-435-3; InChI=1/C9H14O2/c1-6-4-9(2,3)5-7(10)8(6)11/h11H,4-5H2,1-3H; MFCD02181023
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent No safety concern at current levels of intake when used as a flavouring agent TRS 891-JECFA 51/103 |
|---|---|
| GHS notification summary | 97.8% (91 / 93) |
| GHS notification summary | 97.8% (91 / 93) |
|---|
This chemical does not meet GHS hazard criteria for 97.8% (91 of 93) of all reports.
Reported as not meeting GHS hazard criteria by 91 of 93 companies (only 2.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
2-Hydroxy-3,5,5-trimethyl-2-cyclohexenone is identified by CAS 4883-60-7, molecular formula C9H14O2 and molecular weight 154.10 g/mol. UNII 5RIP7E0O7J; ChEBI 180438; InChIKey DWGZTTFGUFHAJX-UHFFFAOYSA-N. Boiling Point: 214.00 to 215.00 °C. @ 760.00 mm Hg; Boiling Point: 90-100 °C (15 mm Hg); Melting Point: 89 - 91 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 烟酮