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
• 经验公式（希尔记法）: C₉H₁₂O₂
• CAS号: 1125-21-9
• 分子量: 152.19
• FEMA號碼: 3421
• Beilstein: 2207030
• EC號碼: 214-406-2
• 歐洲委員會號碼: 11200
• MDL號碼: MFCD00043119
• 分類程式碼代碼: 12164502
• PubChem物質ID: 24901693
• Flavis號碼: 7.109
• NACRES: NA.21
• agency: follows IFRA guidelines; meets purity specifications of JECFA

属性

• 生物源: synthetic
• 品質等級: 400
• 等級: FG; Fragrance grade; Halal; Kosher
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• 法律遵循: EU Regulation 1223/2009; EU Regulation 1334/2008 & 178/2002
• 化驗: ≥98%
• 折射率: n20/D 1.491 (lit.)
• bp: 222 °C (lit.); 92-94 °C/11 mmHg (lit.)
• mp: 26-28 °C (lit.)
• 應用: flavors and fragrances
• 文件: see Safety & Documentation for available documents
• 食物過敏原: no known allergens
• 香料過敏原: no known allergens
• 感官的: musty; woody; sweet
• SMILES 字串: 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 密鑰: AYJXHIDNNLJQDT-UHFFFAOYSA-N

说明

一般說明

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

應用

<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>

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H317
• 防範說明: P280 - P302 + P352
• 危險分類: Skin Sens. 1
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 1
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Faceshields, Gloves