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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
UNSPSC Code:
12352115
NACRES:
NA.22
PubChem Substance ID:
57651648
EC Number:
201-219-6
Beilstein/REAXYS Number:
1343498
MDL number:
MFCD00042628
Assay:
≥90% (GC)

Key Documents

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Quality Level

100

InChI key

JZQOJFLIJNRDHK-CMDGGOBGSA-N

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+

SMILES string

CC1CC=C(C)C(\C=C\C(C)=O)C1(C)C

grade

technical

assay

≥90% (GC)

refractive index

n20/D 1.492

density

0.934 g/mL at 20 °C (lit.)

functional group

ketone

General description

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

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH4764
BCCC2007
BCBZ3596
BCBX0619
BCBR9247V

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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)
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.

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