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Merck
CN

03642

α-Ionone

analytical standard

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
UNSPSC Code:
77101502
NACRES:
NA.24
PubChem Substance ID:
329747748
EC Number:
204-841-6
Beilstein/REAXYS Number:
3197885
MDL number:
MFCD00001565

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InChI key

UZFLPKAIBPNNCA-BQYQJAHWSA-N

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+

SMILES string

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

grade

analytical standard

assay

≥96.0% (GC)

shelf life

limited shelf life, expiry date on the label

refractive index

n20/D 1.497-1.502, n20/D 1.498 (lit.)

bp

259-263 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

α-Ionone may be used as an analytical reference standard for the determination of the analyte in various beverages by chromatography-based techniques.

General description

α-lonone is a C13 norterpenoid formed from the degradation of carotenoids. It is an important fragrance compound used in perfume industries due to its characteristic fine violet and rose scents. Commercially α-lonone is used in cosmetics, personal care products, detergents, etc. As a flavoring agent, it is widely used in various beverages including wine and tea.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

Storage Class

10 - Combustible liquids

flash_point_f

244.4 °F - closed cup

flash_point_c

118 °C - closed cup

hcodes

H412

Hazard Classifications

Aquatic Chronic 3

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL0318
BCCD6409
BCBV5428

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Quantitative determination of $\alpha$-ionone, $\beta$-ionone, and $\beta$-damascenone and enantiodifferentiation of $\alpha$-ionone in wine for authenticity control using multidimensional gas chromatography with tandem mass spectrometric detection
Langen J, et al.
Analytical and Bioanalytical Chemistry, 408(23), 6483-6496 (2016)
Gold-mediated synthesis of $\alpha$-ionone
Merlini V, et al.
Tetrahedron Letters, 52(10), 1124-1127 (2011)
Specific anosmia observed for $\beta$-ionone, but not for $\alpha$-ionone: significance for flavor research
Plotto A, et al.
Journal of Food Science, 71(5), S401-S406 (2006)
Quantitative determination of trace and ultratrace flavour active compounds in red wines through gas chromatographic?ion trap mass spectrometric analysis of microextracts.
Ferreira V, et al.
Journal of Chromatography A, 806(2), 349-354 (1998)
Identification and aroma impact of norisoprenoids in orange juice
Mahattanatawee K, et al.
Journal of Agricultural and Food Chemistry, 53(2), 393-397 (2005)
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