CAS: 5461-08-5; Benzo[d][1,3]Dioxol-5-Ylmethyl Isobutyrate

该化合物是主要用作各种应用中的香味和香味剂的有机化合物,是管状酸和异丁酸产生的酯,其特征是可喜,甜和花粉芳香,适合用于香水,化妆品和食品; Piperonyl异丁酸一般没有色,可粉色黄色,易挥发; 溶于有机溶剂,但水溶性有限; 已知该化合物在正常条件下具有稳定性,尽管在有强酸或碱的情况下可能进行水解; 此外,已研究其潜在的杀虫性能,特别是在虫害控制配方中. 与许多化学物质一样,在处理和接触准则时,应参考安全数据表,以及与其使用有关的任何管制考虑.

英文名称Benzo[d][1,3]Dioxol-5-Ylmethyl Isobutyrate
中文名称苯并[d][1,3]二氧戊环-5-基甲基异丁酸盐
IUPAC名称benzo[d][1,3]dioxol-5-ylmethyl isobutyrate
其它别名异丁酸 3,4-亚甲基二氧苄酯; Piperonyl Isobutyrate
CAS编号5461-08-5
MFCD编号:MFCD00005826
EINECS号:229-993-0
FDA UNII编号:Y8HBR1ACYA
分子式:C12H14O4
分子量:222.24
产品CID: 2301044
产品分类有机原料→分子砌块→芳杂环类化合物→苯并二氧戊环类化合物

相似结构搜索
InChIKey: RQULTIASPCVEFO-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-8(2)12(13)14-6-9-3-4-10-11(5-9)16-7-15-10/h3-5,8H,6-7H2,1-2H3…
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数3.0

物理性质

沸点91-92 °C0.005 mm Hg(文献)
闪点>230 °F
密度1.154 g/mL at 25 °C(文献)
PSA:44.76
LogP:2.1145
折射率n20/D 1.511(文献)
蒸汽压6.21E-06 mmHg at 25 °C
溶解性Chloroform (Sparingly), Methanol (Slightly)
敏感性常温常压下稳定。微带黄色的液体。具有浓的酱果样果香，似洋李样的香气，几乎不溶于水，可溶于醇。
外观形态无色油状物
储存条件冰箱, 置于惰性气氛下
产品应用用途:本品为食品用香料.详情请看
性质描述异丁酸胡椒酯(5461-08-5)的性状:1.无色油状液体,呈甜而柔和的水果和浆果似香气,略有果酱似质感,另有很强的甜李子似香气.2.沸点91～92°C(0.7Pa).不溶于水,溶于有机溶剂和油类,混溶于乙醇.详情请看

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302
防范说明P264-P270-P301+P312-P330-P501
UN编号NONH for all modes of transport
危险类别码Safe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
WGK Germany3

上下游产品

CAS号495-76-1 胡椒醇 | CAS号79-30-1 异丁酰氯

合成工艺路线路线简述

胡椒醇,异丁酰氯反应生成异丁酸胡椒酯
参考文献:Syntheses Of Compounds With The Methylenedioxyphenyl Group
标题:Syntheses Of Compounds With The Methylenedioxyphenyl Group
摘要:
DOI:10.1021/jo01085A011

海关参考信息

2902300000-甲苯
2905121000-正丙醇
2906210000-苄醇
2907210001-间苯二酚
💡 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:US-2019276389-A1
优先权日:2015-12-18
标题:Synthesis of aryl cyclohexane ester derivatives useful as sensates in consumer products
发明人：WOS JOHN AUGUST; YELM KENNETH EDWARD; BUNKE GREGORY MARK; FREDERICK HEATH ALAN; REILLY MICHAEL; HAUGHT JOHN CHRISTIAN; SREEKRISHNA KOTI TATACHAR; LIN YAKANG
权利人:PROCTER & GAMBLE
摘要:Personal care compositions, such as oral care and skin care compositions containing a flavor/perfume system comprising one or more coolants. The pleasant cool sensation provided by a coolant is enhanced in terms of quicker onset, greater intensity, impact or longer duration, which improves appeal and acceptability of the compositions to consumers.

专利号:AU-2016371908-A1
优先权日:2015-12-18
标题 :Synthesis of cyclohexane ester derivatives useful as sensates in consumer products

专利号:CA-3007767-A1
优先权日:2015-12-18
标题:Synthesis of cyclohexane ester derivatives useful as sensates in consumer products