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| | β-Lonone Basic information |
| | 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) | | FEMA | 2595 | BETA-IONONE | | refractive index | n20/D 1.52(lit.) | | 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). | | Merck | 14,5056 | | JECFA Number | 389 | | 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) |
| 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 |
| | 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 |
| Raw materials | Citral-->Ionone-->2-Propenamide, N-methoxy-N-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (2E)--->2-Methyl-2-[(E)-2-(2,6,6-trimethyl-1-cyclohexen-1-yl)ethenyl]-1,3-diox olane-->Methylmagnesium Bromide-->PSEUDOIONONE | | Preparation Products | 2,2,6-TRIMETHYLCYCLOHEXANONE-->Beta-Damascone-->(E)-2,4,4-trimethyl-3-(3-oxo-1-butenyl)cyclohex-2-en-1-one-->4-(2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)-3-buten-2-one-->Boronal-->beta-C14-Aldehyde-->all-trans-Ethyl-β-ionylideacetate |
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