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Key Documents

W259500

Sigma-Aldrich

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:
Molecular Weight:
192.30
FEMA Number:
2595
Beilstein/REAXYS Number:
1909544
Council of Europe no.:
142
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.008
NACRES:
NA.21
organoleptic:
berry; woody; floral; sweet
grade:
FG
Fragrance grade
Kosher
biological source:
synthetic
agency:
follows IFRA guidelines
food allergen:
no known allergens

biological source

synthetic

Quality Level

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

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

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General description

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

Biochem/physiol Actions

Taste at 1-20 ppm

pictograms

Exclamation markEnvironment

signalword

Warning

hcodes

Hazard Classifications

Aquatic Chronic 2 - Skin Irrit. 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 2

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter


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Further Investigation of Flavor Constituents in Manufactured Green Tea
Yamanishi T, et al.
Agricultural and Biological Chemistry, 34(4), 599-608 (1970)
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)
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
Hiroki Irieda et al.
Biochemistry, 50(22), 4912-4922 (2011-05-07)
Organisms sense and respond to environmental stimuli through membrane-embedded receptors and transducers. Sensory rhodopsin I (SRI) and sensory rhodopsin II (SRII) are the photoreceptors for the positive and negative phototaxis in microorganisms, respectively. They form signaling complexes in the membrane

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