| β-Lonone Basic information |
| Product Name: | β-Lonone |
| Synonyms: | Aids-032326;IONONE, BETA-(SG);β-Ionone,4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one;4-(2,6,6-Trimethyl-1;(E)-1-(2,6,6-Trimethyl-1-cyclohexenyl)-1-butene-3-one;β-Lonone;(E)-4-(2,6,6-Trimethylcyclohex-1-enyl)-3-buten-2-one;B-IONONE WITH GC |
| CAS: | 79-77-6 |
| MF: | C13H20O |
| MW: | 192.3 |
| EINECS: | 201-224-3 |
| Product Categories: | Anti-Proliferative Agents;Antitumor Agents;Carthamus tinctorius (Safflower oil);Ephedra sinica;Aspalathus linearis (Rooibos tea);Building Blocks;C13 to C14;Cancer Research;Carbonyl Compounds;Chemical Synthesis;Ginkgo biloba;Ketones;Nutrition Research;Intermediates & Fine Chemicals;Pharmaceuticals;Ocimum basilicum (Basil);Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Zingiber officinale (Ginger);bc0001 |
| Mol File: | 79-77-6.mol |
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| β-Lonone Chemical Properties |
| Melting point | -49°C |
| Boiling point | 126-128 °C12 mm Hg(lit.) |
| density | 0.945 g/mL at 25 °C(lit.) |
| vapor pressure | <1 hPa (25 °C) |
| refractive index | n20/D 1.52(lit.) |
| FEMA | 2595 | BETA-IONONE |
| Fp | 230 °F |
| storage temp. | Store below +30°C. |
| solubility | 0.11g/l insoluble |
| form | Oil |
| color | Clear Colorless to Light Yellow |
| Odor | at 10.00 % in dipropylene glycol. dry powdery floral woody orris berry seedy |
| Odor Type | floral |
| Water Solubility | Soluble in water (0.11 mg/mI at 20°C). |
| JECFA Number | 389 |
| Merck | 14,5056 |
| BRN | 1909544 |
| Stability: | Light Sensitive |
| InChIKey | PSQYTAPXSHCGMF-BQYQJAHWSA-N |
| LogP | 4 at 25℃ |
| CAS DataBase Reference | 79-77-6(CAS DataBase Reference) |
| NIST Chemistry Reference | 3-Buten-2-one, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (E)-(79-77-6) |
| EPA Substance Registry System | .beta.-Ionone (79-77-6) |
| Safety Information |
| Hazard Codes | Xi,N |
| Risk Statements | 38-51/53-36 |
| Safety Statements | 61-36/37-26 |
| RIDADR | UN 3082 9/PG 3 |
| WGK Germany | 2 |
| RTECS | EN0500000 |
| TSCA | Yes |
| HS Code | 2914 23 00 |
| Toxicity | LD50 orally in Rabbit: 2920 mg/kg |
| Provider | Language |
|---|---|
| (3E)-4-(2,6,6-Trimethylcyclohex-1-en-1-yl)but-3-en-2-one | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| β-Lonone Usage And Synthesis |
| Chemical Properties | Clear Colorless to Pale Yellow Oil |
| Uses | An aroma compound commonly found in essential oils such as rose oil. β-Lonone is an important fragrance chemical used in perfumery. β-Ionone is effective in the chemoprevention of rat mammary carcinogenesis. |
| Uses | It is an important fragrance chemical used in perfumery. The combination of α-ionone and β-ionone is characteristic of the scent of violets and used with other components in flavoring to recreate their scent. |
| Definition | ChEBI: An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. |
| Synthesis Reference(s) | Synthetic Communications, 17, p. 85, 1987 DOI: 10.1080/00397918708063906 Tetrahedron Letters, 30, p. 645, 1989 DOI: 10.1016/S0040-4039(01)80271-9 |
| Flammability and Explosibility | Nonflammable |
| Purification Methods | Convert β-ionone to the semicarbazone (m 149o) by adding 50g of semicarbazide hydrochloride and 44g of potassium acetate in 150mL of water to a solution of 85g of β-ionone in EtOH. |
| β-Lonone Preparation Products And Raw materials |