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
Biological source:
synthetic
Agency:
follows IFRA guidelines, meets purity specifications of JECFA
Food allergen:
no known allergens
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
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>
<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>
signalword
Warning
hcodes
Hazard Classifications
Skin Sens. 1
存储类别
11 - Combustible Solids
ppe
dust mask type N95 (US), Eyeshields, Faceshields, Gloves