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Merck
CN

I12409

α-Ionone

technical grade, 90%

Synonym(s):

alpha-Ionone, 4-(2,6,6-Trimethyl-2-cyclohexenyl)-3-buten-2-one

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About This Item

Empirical Formula (Hill Notation):
C13H20O
CAS Number:
127-41-3
Molecular Weight:
192.30
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24895922
EC Number:
204-841-6
Beilstein/REAXYS Number:
3197885
MDL number:
MFCD00001565
Assay:
90%
Form:
liquid

Key Documents

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InChI

1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+

InChI key

UZFLPKAIBPNNCA-BQYQJAHWSA-N

SMILES string

CC(=O)\C=C\C1C(C)=CCCC1(C)C

grade

technical grade

assay

90%

form

liquid

refractive index

n20/D 1.498 (lit.)

bp

259-263 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

Quality Level

100

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Related Categories

pictograms

Health hazard
GHS08

signalword

Danger

hcodes

H334

Hazard Classifications

Resp. Sens. 1

Storage Class

10 - Combustible liquids

wgk

WGK 2

flash_point_f

244.4 °F - closed cup

flash_point_c

118 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBR6555
SHBQ2299
SHBM9006
SHBL5426
MKCH0311

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S Lutz-Wahl et al.
Applied and environmental microbiology, 64(10), 3878-3881 (1998-10-06)
A total of 215 Streptomyces strains were screened for their capacity to regio- and stereoselectively hydroxylate beta- and/or alpha-ionone to the respective 3-hydroxy derivatives. With beta-ionone as the substrate, 15 strains showed little conversion to 4-hydroxy- and none showed conversion
Marco Luparia et al.
Chemistry & biodiversity, 5(6), 1045-1057 (2008-07-12)
To study the influence of the steric bulk of the substituents at C(5) on the olfactory characteristics of alpha-ionone, the (S)-antipodes of compounds 8-10 were synthesized starting from (S)-alpha-cyclogeraniol (14a). The latter was available in useful preparative yield with 95%
F Quattrini et al.
Journal of chromatography. A, 865(1-2), 201-210 (2000-02-16)
The gas chromatographic enantiomer separation of alpha-ionone was studied with three different chiral stationary phases using as chiral selectors: (1) heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin, dissolved in polysiloxane PS-086, (2) octakis(2,6-di-O-pentyl-3-O-trifluoroacetyl)-gamma-cyclodextrin and (3) octakis(2,6-di-O-pentyl-3-O-butanoyl)-gamma-cyclodextrin, both dissolved in polysiloxane SE-54. The influence of the concentration
Ufuk Ozgen et al.
Molecules (Basel, Switzerland), 15(4), 2593-2599 (2010-04-30)
Sonchus erzincanicus (Asteraceae) is an endemic species in Turkey, where six Sonchus species grow. In this study, a phytochemical study was performed on the aerial parts of the plant. The study describes the isolation and structure elucidation of five flavonoids
J Lalko et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 45 Suppl 1, S251-S257 (2007-11-23)
A toxicologic and dermatologic review of ionone when used as a fragrance ingredient is presented.
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