CAS: 79-78-7; Allylionone

该化合物是属于离子蛋的有机化合物,是因小木质降解而形成的圆形骨质,其特点是其美食和果味芳香,在香味和口味行业中具有价值;化学上,该物质具有一种共生双份结合系统和一个可功能组,有助于其在各种条件下的再活动性和稳定性;Allyl-ionone通常是黄色液体的无色,在有机溶剂中可溶,但水溶解程度较低;其沸点和密度各异,但一般具有中度波动性;该化合物经常用于香味和口味行业;此外,该化合物还可用于合成其他有机化合物;与许多化学物质一样,适当的处理和安全防范措施必不可少,因为如果大量浸泡或吸入,可能会对健康造成危害.

英文名称Allylionone
中文名称1-(2,6,6-三甲基环己-2-烯-1-基)七-1,6-二烯-3-酮
IUPAC名称(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one
其它别名1-(2,6,6-Trimethyl-2-Cyclohexen-1-yl)-1,6-Heptadien-3-One; 1-(2,6,6-Trimethyl-2-Cyclohexen-1-yl)-6-Heptadien-3-One; 6-Heptadien-3-One,1-(2,6,6-Trimethyl-2-Cyclohexen-1-yl)-1; Allylalpha-Ionon; 1-(2,6,6-Trimethylcyclohex-2-Enyl)Hepta-1,6-Dien-3-One; 1-(2,6,6-Trimethyl-2-Cyclohexen-1-yl)Hepta-1,6-Dien-3-One; Allyl Alpha-Ionone 65+%; 1,6-Heptadien-3-One, 1-(2,6,6-Trimethyl-2-Cyclohexen-1-yl)-
CAS编号79-78-7
MFCD编号:MFCD00052729
EINECS号:201-225-9
FDA UNII编号:8IP66F9ODG
分子式:C16H24O
分子量:232.37
产品CID: 1792016
产品分类有机原料→分子砌块→脂肪环类化合物→环己烷类化合物

相似结构搜索
InChIKey: FXCYGAGBPZQRJE-UHFFFAOYNA-N
InChI=1/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+…
计算化学: 氢键受体数1.0氢键供体数0.0可旋转键数5.0

相似化合物

127-51-5 1335-46-2 127-42-4

物理性质

熔点< 25 °C
沸点313.4 °C at 760 mmHg
闪点137.6 °C
密度0.928 g/mL at 25°C(文献)
PSA:17.07
LogP:4.4604
折射率n20/D 1.505(文献)
蒸汽压0.000498 mmHg at 25 °C
溶解性soluble in alcohol; insoluble in water | 1 ml in 1 ml 90% alcohol; 1 ml in 8 ml 70% alcohol (in ethanol)
外观形态无色至黄色液体带有一种水果的,木质的气味
储存条件库房通风低温干燥环境,轻装轻卸、与氧化剂和酸类分开存放
产品应用该化合物用作配制菠萝和其他水果香味.

MSDS等安全信息

GHS象形图
GHS符号GHS07 & GHS09;
注释: Exclamation mark & Environment
危险类别皮肤致敏类别1B
水生慢性毒性类别2
警示词Warning(警告)
危险描述H317 |可能引起皮肤过敏反应.
H411 |对水生生物有毒并具有长期持续影响.
防范说明P261-P272-P273-P280-P302+P352-P362+P364-P391-P501
UN编号NONH for all modes of transport
WGK Germany2

欧盟法规

ECHA物质C&L通报REACH预注册

合成工艺路线路线简述

67785-75-5 = 79-78-7 [标题:Reaction Conditions
标题:Research Of Ionones. (V). Catalytic Synthesis Of Allylionone
作者:Li,Juren; Et Al
参考文献:Hecheng Huaxue 日期:1994 卷标:2(1) 页码:42-9]

5392-40-5 = 79-78-7 [标题:Reaction Conditions
标题:Research Of Ionones. (V). Catalytic Synthesis Of Allylionone
作者:Li,Juren; Et Al
参考文献:Hecheng Huaxue 日期:1994 卷标:2(1) 页码:42-9

海关参考信息

2901210000-乙烯
2901220000-丙烯
2912110000-甲醛
2912120000-乙醛
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:EP-3628658-A1
优先权日:2018-09-28
标题:Synthesis of substituted enones

专利号:US-2025091984-A1
优先权日:2022-04-07
标题:Fragrance and flavor materials
发明人：DICKERSON THALIA S; TURESKI ROBERT; BLANDINO MAUREEN
权利人:TAKASAGO PERFUMERY CO LTD
摘要:The present disclosure is directed to the synthesis and application of novel compounds having unique and desired flavor and/or fragrance characteristics. The compounds of the present disclosure can be employed alone or incorporated as fragrance or flavor compounds in fragrance or flavor compositions. The present disclosure is also directed to consumer products comprising such fragrance or flavor compounds and/or fragrance or flavor compositions.