58220

Irone

technical, mixture of isomers (mainly the α-isomer), ≥90% (GC)

• Synonym(s): α-Irone, 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one, 4-(2,5,6,6-Tetramethyl-2-cyclohexen-1-yl)-3-butene-2-one, 6-Methyl-α-ionone, Methyl-α-ionone
• Empirical Formula (Hill Notation): C₁₄H₂₂O
• CAS Number: 79-69-6
• Molecular Weight: 206.32
• Beilstein: 1343498
• EC Number: 201-219-6
• MDL number: MFCD00042628
• UNSPSC Code: 12352115
• PubChem Substance ID: 57651648
• NACRES: NA.22

Properties

• grade: technical
• Assay: ≥90% (GC)
• refractive index: n20/D 1.492
• density: 0.934 g/mL at 20 °C (lit.)
• functional group: ketone
• SMILES string: CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C
• InChI: 1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h6,8-9,11,13H,7H2,1-5H3/b9-8+
• InChI key: JZQOJFLIJNRDHK-CMDGGOBGSA-N

Description

General description

Irone is a bioactive compound that is produced by an endophytic fungus in the rhizomes of Iris germanica.

Safety Information

• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves