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Merck
CN

W259411

α-Ionone

natural, ≥86%

Synonym(s):

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
FEMA Number:
2594
Council of Europe no.:
141
UNSPSC Code:
12164502
PubChem Substance ID:
24901175
Flavis number:
7.007
EC Number:
204-841-6
NACRES:
NA.21
MDL number:
MFCD00001565
Beilstein/REAXYS Number:
3197885
Organoleptic:
floral
Grade:
Halal, Kosher, natural
Food allergen:
no known allergens

Key Documents

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SMILES string

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

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

grade

Halal, Kosher, natural

reg. compliance

FDA 21 CFR 117

assay

≥86%

refractive index

n20/D 1.498 (lit.)

bp

259-263 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

organoleptic

floral

Quality Level

400

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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

hcodes

H412

Hazard Classifications

Aquatic Chronic 3

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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ3541
MKCD8810
MKCC2303
MKBZ4708V
MKBT6908V

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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, S235-S240 (2007-11-27)
A toxicologic and dermatologic review of alpha-ionone when used as a fragrance ingredient is presented.
Heping Ye et al.
Organic letters, 11(23), 5442-5444 (2009-12-01)
The Ziegler intermediate, useful for the total synthesis of forskolin, was synthesized in 10 reaction steps starting from commercially available alpha-ionone. This highly efficient synthesis relies on the success of two consecutive highly regio- and stereoselective rearrangements. The current synthesis
Da-Mi Jung et al.
Journal of agricultural and food chemistry, 51(7), 1988-1993 (2003-03-20)
Diffusion-based NMR techniques were employed to study effects of pH on beta-lactoglobulin (BLG) conformation and binding affinity to alpha- and beta-ionone. In the first part of the study, the influence of pH on the diffusion coefficient of BLG in D(2)O
María del Mar Caja et al.
Journal of agricultural and food chemistry, 55(16), 6700-6704 (2007-07-17)
In addition to the already available information on the authenticity of alpha- (1) and beta-ionone (2) from plant tissues, there is an interest in the stable isotope data of 1 and 2 available by synthesis from citral and acetone, as
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%
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