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Merck
CN

W342106

Sigma-Aldrich

4-氧代异佛尔酮

≥98%, FG

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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
经验公式(希尔记法):
C9H12O2
CAS号:
分子量:
152.19
FEMA编号:
3421
Beilstein:
2207030
EC 号:
欧洲委员会编号:
11200
MDL编号:
UNSPSC代码:
12164502
PubChem化学物质编号:
Flavis编号:
7.109
NACRES:
NA.21

生物来源

synthetic

质量水平

等级

FG
Fragrance grade
Halal
Kosher

Agency

follows IFRA guidelines
meets purity specifications of JECFA

管理合规性

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

检测方案

≥98%

折射率

n20/D 1.491 (lit.)

bp

222 °C (lit.)
92-94 °C/11 mmHg (lit.)

mp

26-28 °C (lit.)

应用

flavors and fragrances

文件

see Safety & Documentation for available documents

食品过敏原

no known allergens

致敏芳香化合物

no known allergens

性状检查

musty; woody; sweet

SMILES字符串

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

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一般描述

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

应用

<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>

象形图

Exclamation mark

警示用语:

Warning

危险声明

预防措施声明

危险分类

Skin Sens. 1

WGK

WGK 1

个人防护装备

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


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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.
Matthias Lechtenberg et al.
Planta medica, 74(7), 764-772 (2008-05-23)
Extracts from saffron, the dried stigmata from Crocus sativus L., are being used more and more in preclinical and clinical trials for the treatment of cancer and depression. Because of the known quality problems of saffron, HPLC methods on RP(18)

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