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Merck

W342106

4-Oxoisophorone

≥98%, FG

Sinónimos:

2,6,6-Trimethyl-2-cyclohexene-1,4-dione, 4-Oxoisophorone, Ketoisophorone

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Fórmula empírica (notación de Hill):
C9H12O2
Número CAS:
Peso molecular:
152.19
FEMA Number:
3421
Council of Europe no.:
11200
UNSPSC Code:
12164502
PubChem Substance ID:
Flavis number:
7.109
EC Number:
214-406-2
NACRES:
NA.21
MDL number:
Beilstein/REAXYS Number:
2207030
Organoleptic:
musty; woody; sweet
Grade:
FG, Fragrance grade, Halal, Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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biological source

synthetic

Quality Segment

grade

FG, Fragrance grade, Halal, Kosher

agency

follows IFRA guidelines, meets purity specifications of JECFA

reg. compliance

EU Regulation 1223/2009, EU Regulation 1334/2008 & 178/2002

assay

≥98%

refractive index

n20/D 1.491 (lit.)

bp

222 °C (lit.), 92-94 °C/11 mmHg (lit.)

mp

26-28 °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

musty; woody; sweet

SMILES string

CC1=CC(=O)CC(C)(C)C1=O

InChI

1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

InChI key

AYJXHIDNNLJQDT-UHFFFAOYSA-N

General description

4-Oxoisophorone is a flavor compound found in tobacco and saffron.

Application

<ul>
<li><strong>Characterization of Evodia rutaecarpa (Juss) Benth honey: volatile profile, odor-active compounds and odor properties.</strong> This study investigates the unique aroma compounds in Evodia rutaecarpa honey, identifying 4-Oxoisophorone as a key component influencing its sensory characteristics, crucial for developing enhanced food products with distinct flavors (Li et al., 2024).</li>
<li><strong>Enantioselective Total Synthesis of (R,R)-Blumenol B and d(9)-(R,R)-Blumenol B.</strong> Describes the synthesis of biologically active compounds using 4-Oxoisophorone as a precursor, demonstrating its versatility in chemical synthesis and potential applications in developing pharmaceutical agents (Tan et al., 2022).</li>
<li><strong>The mystery of the butterfly bush Buddleja davidii: How are the butterflies attracted </strong> Explores the chemical attractants of Buddleja davidii, with 4-Oxoisophorone identified as a significant attractant, which could have implications for enhancing biodiversity and garden ecology (Lehner et al., 2022).</li>
</ul>


pictograms

Exclamation mark

signalword

Warning

hcodes

Hazard Classifications

Skin Sens. 1

Clase de almacenamiento

11 - Combustible Solids

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves



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