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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

hcodes

H412

Hazard Classifications

Aquatic Chronic 3

Storage Class

10 - Combustible liquids

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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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
Yonghong Wu et al.
Environmental microbiology, 13(3), 604-615 (2010-11-09)
Periphyton biofilms are natural mixtures comprised of photoautotrophic and heterotrophic complex microorganisms. In this work, the inhibition effects of periphyton biofilms on cyanobacterial blooms were studied in pilot and field trials. Results show that the cyanobacterial species responsible for the
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%
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
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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