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Merck
CN

W259500

β-Ionone

predominantly trans, ≥97%, FCC, FG

Synonym(s):

4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-2-one

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About This Item

Empirical Formula (Hill Notation):
C13H20O
CAS Number:
14901-07-6
Molecular Weight:
192.30
FEMA Number:
2595
Council of Europe no.:
142
UNSPSC Code:
12164502
PubChem Substance ID:
24901176
Flavis number:
7.008
NACRES:
NA.21
Beilstein/REAXYS Number:
1909544
MDL number:
MFCD00001549
Organoleptic:
berry; woody; floral; sweet
Grade:
FG
Fragrance grade
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
Food allergen:
no known allergens

Key Documents

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Product Name

β-Ionone, predominantly trans, ≥97%, FCC, FG

SMILES string

CC(=O)\C=C\C1=C(C)CCCC1(C)C

InChI

1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3/b8-7+

InChI key

PSQYTAPXSHCGMF-BQYQJAHWSA-N

biological source

synthetic

grade

FG
Fragrance grade
Kosher

agency

follows IFRA guidelines

reg. compliance

EU Regulation 1223/2009
EU Regulation 1334/2008 & 178/2002
FCC
FDA 21 CFR 117
FDA 21 CFR 172.515

assay

≥97%

refractive index

n20/D 1.52 (lit.)

bp

126-128 °C/12 mmHg (lit.)

density

0.945 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

fragrance allergen

no known allergens

organoleptic

berry; woody; floral; sweet

Quality Level

300
400

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Biochem/physiol Actions

Taste at 1-20 ppm

General description

β-Ionone is one of the main volatile compounds identified in green tea and tomatoes.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H315,H411

Hazard Classifications

Aquatic Chronic 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 2

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
SHBT0437
SHBQ3818
SHBP7551
SHBN5241
SHBL9199

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Enzymatic modification of tomato homogenate and its effect on volatile flavor compounds.
Yilmaz E, et al.
Journal of Food Science, 67(6), 2122-2125 (2002)
Further Investigation of Flavor Constituents in Manufactured Green Tea
Yamanishi T, et al.
Agricultural and Biological Chemistry, 34(4), 599-608 (1970)
Jihai Shao et al.
Aquatic toxicology (Amsterdam, Netherlands), 104(1-2), 48-55 (2011-05-06)
In order to explore the potential targets of toxicity of β-ionone on the photosynthetic system of Microcystis aeruginosa, the polyphasic rise in chlorophyll a (Chl a) fluorescence transient and transcript expression for key genes in photosystem II (PSII) of M.
Jonathan T Vogel et al.
Journal of the science of food and agriculture, 90(13), 2233-2240 (2010-07-28)
Tomatoes contain high levels of several carotenoids including lycopene and β-carotene. Beyond their functions as colorants and nutrients, carotenoids are precursors for important volatile flavor compounds. In order to assess the importance of apocarotenoid volatiles in flavor perception and acceptability
Chang-Hee Kang et al.
Toxicology in vitro : an international journal published in association with BIBRA, 27(2), 782-787 (2012-12-27)
β-Ionone, a precursor of carotenoids, possesses a variety of biological properties such as anti-cancerous, anti-mutagenic and anti-microbial activity. Nevertheless, anti-inflammatory effects of β-ionone remain unknown. In this study, we investigated whether ION attenuates the expression of lipopolysaccharide (LPS)-induced pro-inflammatory mediators
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