79-77-6 β-Lonone

Superiority:

Product Name: β-Lonone
Synonyms: (E)-4-(2,6,6-triMethylcyclohex-1-en-1-yl)but-3-en-2-one;β-Ionone;-Ionone for synthesis;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;4-trans-(2,6,6-Trimethyl-cyclohex-1-enyl)-but-3(E)-en-2-one;6,6-trimethyl-1-cyclohexen-1-yl)-4-((e)-3-buten-2-on;beta-E-Ionone
CAS: 79-77-6
MF: C13H20O
MW: 192.3
EINECS: 201-224-3
Product Categories: Ocimum basilicum (Basil);Organic Building Blocks;Phytochemicals by Plant (Food/Spice/Herb);Zingiber officinale (Ginger);Intermediates & Fine Chemicals;Pharmaceuticals;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
Mol File: 79-77-6.mol

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.  2-8°C
solubility  0.11g/l insoluble
Water Solubility  Soluble in water (0.11 mg/mI at 20°C).
JECFA Number 389
Merck  14,5056
BRN  1909544
InChIKey PSQYTAPXSHCGMF-BQYQJAHWSA-N
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

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.
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.
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.