W217506

乙酸异丁酯

FCC, FG

• 别名: 乙酸异丁酯
• 线性分子式: CH₃COOCH₂CH(CH₃)₂
• CAS号: 110-19-0
• 分子量: 116.16
• FEMA號碼: 2175
• Beilstein: 1741909
• EC號碼: 203-745-1
• 歐洲委員會號碼: 195
• MDL號碼: MFCD00008932
• 分類程式碼代碼: 12164502
• PubChem物質ID: 24900888
• Flavis號碼: 9.005
• NACRES: NA.21
• 感官的: apple; banana; fruity; ethereal; sweet
• 等級: FG; Fragrance grade; Halal; Kosher
• 生物源: synthetic
• agency: follows IFRA guidelines; meets purity specifications of JECFA
• 食物過敏原: no known allergens

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; FCC; FDA 21 CFR 117; FDA 21 CFR 172.515
• 蒸汽密度: >4 (vs air)
• 蒸汽壓力: 15 mmHg ( 20 °C)
• 化驗: ≥98%
• 形狀: liquid
• 自燃溫度: 793 °F
• expl. lim.: 10.5 %
• 折射率: n20/D 1.39 (lit.)
• pH值: 6.7 (20 °C, 5 g/L)
• bp: 115-117 °C (lit.)
• mp: −99 °C (lit.)
• 溶解度: 95% ethanol: soluble 1 mL/mL
• 密度: 0.867 g/mL at 25 °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: apple; banana; fruity; ethereal; sweet
• SMILES 字串: CC(C)COC(C)=O
• InChI: 1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3
• InChI 密鑰: GJRQTCIYDGXPES-UHFFFAOYSA-N

说明

一般說明

Isobutyl acetate, a medium chain ester, is a high-volume solvent, flavor and fragrance compound. It is the fruity ester formed during the fermentation of wine. Organoleptic threshold value of isobutyl acetate has been evaluated in Norwegian all-malt pilsener beer. Engineered biosynthesis of isobutyl acetate in Escherichia coli directly from glucose has been reported.

應用

Isobutyl acetate is suitable ester aroma compound used in the estimation of esters which contribute to the fruity aroma in sweet wines.

生化／生理作用

10ppm 时的味道

其他說明

天然存在：苹果、香蕉、可可、无花果、葡萄、葡萄白兰地、梨子、菠萝、雪利酒、草莓和葡萄酒。

安全信息

• 象形圖: GHS02,GHS07
• 訊號詞: Danger
• 危險聲明: H225,H336
• 防範說明: P210 - P233 - P240 - P241 - P242 - P243
• 危險分類: Flam. Liq. 2 - STOT SE 3
• 標靶器官: Central nervous system
• 儲存類別代碼: 3 - Flammable liquids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: 71.6 °F - Pensky-Martens closed cup
• 閃點（°C）: 22 °C - Pensky-Martens closed cup
• 個人防護裝備: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter