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Merck
CN

W259411

α-Ionone

natural, ≥86%

Synonym(s):

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:
127-41-3
Molecular Weight:
192.30
FEMA Number:
2594
Beilstein:
3197885
EC Number:
204-841-6
Council of Europe no.:
141
MDL number:
MFCD00001565
UNSPSC Code:
12164502
PubChem Substance ID:
24901175
Flavis number:
7.007
NACRES:
NA.21
Organoleptic:
floral
Grade:
Halal
Kosher
natural
Food allergen:
no known allergens

Key Documents

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grade

Halal
Kosher
natural

Quality Level

400

reg. compliance

FDA 21 CFR 117

Assay

≥86%

refractive index

n20/D 1.498 (lit.)

bp

259-263 °C (lit.)

density

0.93 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

floral

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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Pictograms

Health hazard
GHS08

Signal Word

Danger

Hazard Statements

H334

Precautionary Statements

P261 - P342 + P311

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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Certificates of Analysis (COA)

Lot/Batch Number
MKCJ3541
MKCD8810
MKCC2303
MKBZ4708V
MKBT6908V

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Hao Cai et al.
Molecules (Basel, Switzerland), 18(2), 1368-1382 (2013-01-26)
Flos Lonicerae Japonicae (FLJ) is a popular herb used for many centuries in Traditional Chinese Medicine as a treatment of fever and inflammation. Non-fumigated processing of FLJ has been the traditional approach used in post-harvest preparation of the commodity for
Stephanie B A de Beer et al.
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
Darunee Soorukram et al.
Organic letters, 6(14), 2409-2411 (2004-07-02)
[reaction: see text] The allylic substitution of sterically hindered (2-iodocycloalkyl)phosphates proceeds with complete anti S(N)2' stereoselectivity with mixed diorganozincs of the type RZnCH(2)SiMe(3) in the presence of CuCN.2LiCl. Only the group R of the copper-zinc reagent is transferred in the
Ufuk Ozgen et al.
Molecules (Basel, Switzerland), 15(4), 2593-2599 (2010-04-30)
Sonchus erzincanicus (Asteraceae) is an endemic species in Turkey, where six Sonchus species grow. In this study, a phytochemical study was performed on the aerial parts of the plant. The study describes the isolation and structure elucidation of five flavonoids
Sabine Sewenig et al.
Journal of agricultural and food chemistry, 53(4), 838-844 (2005-02-17)
A new coupling system of GC-GC, connected via a Multi Column Switching Device MCS2 for measuring isotope ratios, is introduced. By means of several standard substances the precise and accurate measurement of isotopic values is proved. First applications concerning the
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