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58220

Irone

Name: Irone
Brand: ALDRICH

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)

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Properties

Quality Segment

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

Description

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 (personal protective equipment)

Eyeshields, Gloves

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