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Key Documents

Safety Information

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:
1909544
Council of Europe no.:
142
MDL number:
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.008
NACRES:
NA.21

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

Signal Word

Warning

Hazard Statements

Hazard Classifications

Aquatic Chronic 2 - Skin Irrit. 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 2

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W259500-VAR-K:
W259500-1KG:
W259500-20KG-K:
W259500-1KG-K:
W259500-10KG:
W259500-20KG:
W259500-SAMPLE:
W259500-SAMPLE-K:
W259500-BULK-K:
W259500-10KG-K:


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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)
A Vieira et al.
Brazilian journal of medical and biological research = Revista brasileira de pesquisas medicas e biologicas, 44(6), 538-545 (2011-03-30)
β-ionone (βI), a cyclic isoprenoid, and geraniol (GO), an acyclic monoterpene, represent a promising class of dietary chemopreventive agents against cancer, whose combination could result in synergistic anticarcinogenic effects. The chemopreventive activities of βI and GO were evaluated individually or
Jianfeng Wang et al.
Investigative ophthalmology & visual science, 53(10), 6355-6369 (2012-08-18)
In human retinal degeneration, rod photoreceptors reactively sprout neurites. The mechanism is unknown in part because of the paucity of animal models displaying this feature of human pathology. We tested the role of cAMP and opsin in sprouting by tiger
Mun-Ock Kim et al.
Molecular cancer therapeutics, 9(4), 833-843 (2010-04-01)
beta-Ionone (ION), an end-ring analogue of beta-carotenoid, has been known to inhibit tumor cell growth and induce apoptosis in various types of cancer cells. Nevertheless, its apoptosis-related molecular mechanisms remain unclear. Here, we first investigated the molecular mechanisms by which

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