| Identification | More | [Name]
4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one | [CAS]
79-77-6 | [Synonyms]
3-BUTEN-2-ONE, 4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)
4-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-3-BUTEN-2-ONE
4-(2,6,6-TRIMETHYL-1-CYCLOHEXENYL)-3-BUTEN-2-ONE
AURORA KA-815
B-CYCLOCITRYLIDENEACETONE
BETA-CYCLOCITRYLIDENEACETONE
BETA-IONONE
BETA-IRISONE
BETA-JONONE
B-IONONE
(E)-4-(2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-BUT-3-EN-2-ONE
FEMA 2595
IONONE, B-
IONONE BETA
IRISONE
OIL
(3E)-4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
(E)-beta-Ionone
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-,(E)-3-Buten-2-one
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3(E)-buten-2-one | [EINECS(EC#)]
201-224-3 | [Molecular Formula]
C13H20O | [MDL Number]
MFCD00001549 | [Molecular Weight]
192.3 | [MOL File]
79-77-6.mol |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,N | [Risk Statements ]
R38:Irritating to the skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
R36:Irritating to the eyes. | [Safety Statements ]
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
UN 3082 9/PG 3
| [WGK Germany ]
2
| [RTECS ]
EN0500000
| [TSCA ]
Yes | [HS Code ]
29142990 | [Toxicity]
LD50 orally in Rabbit: 2920 mg/kg |
| Raw materials And Preparation Products | Back Directory | [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 |
| Hazard Information | Back Directory | [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. |
|
|