I12409
α-Ionone
technical grade, 90%
Synonym(s):
alpha-Ionone, 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:
Molecular Weight:
192.30
Beilstein:
3197885
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
form:
liquid
Assay:
90%
Recommended Products
grade
technical grade
Quality Level
Assay
90%
form
liquid
refractive index
n20/D 1.498 (lit.)
bp
259-263 °C (lit.)
density
0.93 g/mL at 25 °C (lit.)
SMILES string
CC(=O)\C=C\C1C(C)=CCCC1(C)C
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+
InChI key
UZFLPKAIBPNNCA-BQYQJAHWSA-N
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Signal Word
Danger
Hazard Statements
Precautionary Statements
Hazard Classifications
Resp. Sens. 1
Storage Class Code
10 - Combustible liquids
WGK
WGK 2
Flash Point(F)
244.4 °F - closed cup
Flash Point(C)
118 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Journal of chemical information and modeling, 52(8), 2139-2148 (2012-07-07)
Previously, stereoselective hydroxylation of α-ionone by Cytochrome P450 BM3 mutants M01 A82W and M11 L437N was observed. While both mutants hydroxylate α-ionone in a regioselective manner at the C3 position, M01 A82W catalyzes formation of trans-3-OH-α-ionone products whereas M11 L437N
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Journal of chromatography. A, 865(1-2), 201-210 (2000-02-16)
The gas chromatographic enantiomer separation of alpha-ionone was studied with three different chiral stationary phases using as chiral selectors: (1) heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin, dissolved in polysiloxane PS-086, (2) octakis(2,6-di-O-pentyl-3-O-trifluoroacetyl)-gamma-cyclodextrin and (3) octakis(2,6-di-O-pentyl-3-O-butanoyl)-gamma-cyclodextrin, both dissolved in polysiloxane SE-54. The influence of the concentration
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A toxicologic and dermatologic review of ionone when used as a fragrance ingredient is presented.
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