CAS: 1733-25-1; Isopropyl (E)-2-Methylbut-2-Enoate

该化合物是一种调味剂,在食品工业中,其温和的,苹果类的芳香可增强产品特征.该化合物的纯度和一贯性使其在工业和实验室用途,特别是在合成有机化学和感官应用中成为可靠的选择.

英文名称Isopropyl (E)-2-Methylbut-2-Enoate
中文名称惕各酸异丙酯
IUPAC名称isopropyl (E)-2-methylbut-2-enoate
其它别名Isopropylalpha-Methylcrotonate; Isopropyl 2-Methylcrotonate; Isopropyl Tiglate 98+%; 2-Butenoicacid,2-Methyl-,1-Isopropylester; (E)-Isopropyl 2-Methylbutenoate; 3-Methylbut-2-Enoic Acid Isopropyl Ester; Propan-2-Yl 3-Methylbut-2-Enoate; 2-Butenoic Acid, 2-Methyl-, 1-Methylethyl Ester, (2E)-
CAS编号1733-25-1
MFCD编号:MFCD00016631
EINECS号:217-067-9
FDA UNII编号:50936QM86D
分子式:C8H14O2分子量:142.2
产品CID: 886232
产品分类香精与香料 → 合成香料 → 羧酸及酯类香料

相似结构搜索
InChIKey: VUPBIVVRPJDWNW-FNORWQNLSA-N
InChI=1S/C8H14O2/c1-5-7(4)8(9)10-6(2)3/h5-6H,1-4H3/b7-5+
计算化学: 氢键受体数2.0氢键供体数*可旋转键数3.0

物理性质

沸点165.4 °C at 760mmHg
闪点54.9 °C
密度0.9g/cm3
PSA:26.3
LogP:1.9042
折射率n20/D 1.431(文献)
蒸汽压1.88mmHg at 25°C
溶解性completely miscible with alcohol and diluted alcohol
产品应用该化合物用作烘烤食品(5.0毫克/千克),凝胶甜点,布丁和汤(1.0毫克/公斤)和沙拉油(1.0亿毫克/克)的调味剂.

MSDS等安全信息

GHS象形图
GHS符号GHS02;
注释: Flame
危险类别易燃液体类别3
特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
警示词Warning(警告)
危险描述H226 |易燃液体和蒸气.
H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
防范说明P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501
UN编号UN 3272 3/PG 3
危险品标志Xi
安全声明16-26-36
危险类别码10-36/37/38
WGK Germany2

欧盟法规

ECHA物质C&L通报REACH预注册

上下游产品

CAS号80-59-1 惕格酸 | CAS号67-63-0 异丙醇 | CAS号66576-71-4 2-甲基丁酸-1-甲基乙酯 | CAS号137-32-6 2-甲基丁醇 | CAS号1565-80-6 S(-)-2-甲基-1-丁醇

合成工艺路线路线简述

📜(1-Isopropoxy-Ethyl)-Methyl-Malonic Acid Diethyl Ester置于盐酸体系中,化学反应生成惕各酸异丙酯
参考文献:Bogatskii,A.V.; P'Yankova,G.V.,Journal Of General Chemistry Of The Ussr,1964,Vol. 34,P. 2974-2976
标题:Bogatskii,A.V.; P'Yankova,G.V.,Journal Of General Chemistry Of The Ussr,1964,Vol. 34,P. 2974-2976

海关参考信息

2901210000-乙烯
2901220000-丙烯
2905122000-异丙醇
2909110000-乙醚
💡 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-2004106808-A1
优先权日:2000-12-22
标题:Processes for preparing calanolide a and intermediates thereof
发明人：TERASHIMA SHIRO; KOYAKUMARU KENICHI
摘要:The present invention provides a production method of Calanolide A according to the following method n n n wherein each symbol is as defined in the specification, as a more convenient and industrially practical method for the synthesis of Calanolide A from an easily available starting material.