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Merck
CN

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

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About This Item

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

Key Documents

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Quality Level

100

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

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General description

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH4764
BCCC2007
BCBZ3596
BCBX0619
BCBR9247V

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J Lalko et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S272-S275 (2007-11-23)
A toxicologic and dermatologic review of alpha-irone when used as a fragrance ingredient is presented.
Endophytic fungi for producing bioactive compounds originally from their host plants.
Zhao J, et al.
Current Research, Technology and Education Topics in Applied Microbiology and Microbial Biotechnology, 1, 567-576 (2010)

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