W342106
4-氧代异佛尔酮
≥98%, FG
别名:
2,6,6-三甲基-2-环己烯-1,4-二酮, 4-氧代异佛尔酮, 茶香酮
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关于此项目
经验公式（希尔记法）:
C9H12O2
化学文摘社编号:
分子量:
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
Fragrance grade
Halal
Kosher
Biological source:
synthetic
Agency:
follows IFRA guidelines
meets purity specifications of JECFA
meets purity specifications of JECFA
Food allergen:
no known allergens
产品名称
4-氧代异佛尔酮, ≥98%, FG
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
biological source
synthetic
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
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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>
<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>
General description
4-Oxoisophorone is a flavor compound found in tobacco and saffron.
signalword
Warning
hcodes
pcodes
Hazard Classifications
Skin Sens. 1
存储类别
11 - Combustible Solids
wgk
WGK 1
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Study on the flavor change of tobacco powder during enzymatic hydrolysis and Maillard reaction
Wen DM, et al.
Science and Technology of Food Industry, 12, 038-038 (2012)
Worldwide market screening of saffron volatile composition.
Maggi L, et al.
Journal of the Science of Food and Agriculture, 89(11), 1950-1954 (2009)
Mohamed-Elamir F Hegazy et al.
Zeitschrift fur Naturforschung. C, Journal of biosciences, 63(5-6), 403-408 (2008-08-02)
Stereospecific olefin (C=C) and carbonyl (C=O) reduction of the readily available prochiral compound ketoisophorone (2,2,6-trimethyl-2-cyclohexene-1,4-dione) (1) by Marchantia polymorpha and Nicotiana tabacum cell suspension cultures produce the chiral products (6R)-levodione (2), (4R,5S)-4-hydroxy-3,3,5-trimethylcyclohexanone (3), and (4R,6R)-actinol (4) as well as the
Stefano Raimondi et al.
Journal of biotechnology, 156(4), 279-285 (2011-09-22)
Old yellow enzymes (OYEs, EC 1.6.99.1) are flavin-dependent oxidoreductases that catalyze the stereoselective trans-hydrogenation of the double bond, representing a promising alternative to metal-based catalysis. Bioconversion of ketoisophorone (KIP) by 28 non-conventional yeasts belonging to 16 different species was investigated.
Marta Goretti et al.
Bioresource technology, 102(5), 3993-3998 (2011-01-15)
The bioreduction of α,β-unsaturated ketones (ketoisophorone, 2-methyl- and 3-methyl-cyclopentenone) and aldehydes [(S)-(-)-perillaldehyde and α-methyl-cinnamaldehyde] by 23 "non-conventional" yeasts (NCYs) belonging to 21 species of the genera Candida, Cryptococcus, Debaryomyces, Hanseniaspora, Kazachstania, Kluyveromyces, Lindnera, Nakaseomyces, Vanderwaltozyma, and Wickerhamomyces was reported. The
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