W259525
β-Ionone
natural, ≥95%, 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
Flavis number:
7.008
PubChem Substance ID:
UNSPSC Code:
12164502
FEMA Number:
2595
NACRES:
NA.21
EC Number:
238-969-9
MDL number:
Beilstein/REAXYS Number:
1909544
Organoleptic:
berry; floral; woody; sweet
Grade:
FG, Halal, Kosher, natural
Food allergen:
no known allergens
Quality Segment
grade
FG, Halal, Kosher, natural
reg. compliance
EU Regulation 1334/2008 & 178/2002, FDA 21 CFR 117
assay
≥95%
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
organoleptic
berry; floral; woody; 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
General description
β-Ionone is one of the main volatile compounds identified in green tea and tomatoes.
Other Notes
Natural occurrence: Tobacco, grape, grape brandy, orange juice, papaya, peach, raspberry, roasted almond, tea and spearmint.
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signalword
Warning
hcodes
Hazard Classifications
Aquatic Chronic 2 - Skin Irrit. 2
Storage Class
10 - Combustible liquids
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