CAS 2021-28-5 MFCD00009206-Ethyl 3-phenylpropionate 3-苯基丙酸乙酯 TAO{mole}

Ethyl 3-phenylpropionate 3-苯基丙酸乙酯

CAS 2021-28-5 MFCD00009206

化学结构图

SMILES: CCOC(=O)CCc1ccccc1

化学属性

Mol. Formula	C11H14O2
Mol. Weight	178.23
Density	1.01
Refractive index	1.4930 to 1.4950
Flash Point	108°C
TSCA	Yes
Boiling Point	247-249°C at 760 mmHg
Solubility	<0.1 G/100 ML AT 25 ºC
Appearance	D 20 )1.015，折射率(n 无色略呈油状液体，呈甜的水果和蜂蜜似花香香气。沸点247～249℃，闪点108℃。相对密度(d 4 17.8 )1.4951。不溶于水，溶于大多数有机溶剂及油类，混溶于乙醇。
Melting Point	122-124 °C

别名和识别编码

Chemical Name	Ethyl 3-phenylpropionate
Synonym	Ethyl 3-phenylpropanoate {LY} Ethyl 3-phenylpropanoate {} {LY} Ethyl 3-phenylpropanoate {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl 3-phenylpropanoate {} {} {} {} {} {} {} {} {} {} {}
CAS Number	2021-28-5
EC Number	217-966-6
Beilstein Registry Number	1910432
MDL Number	MFCD00009206
PubChem Substance ID	16237
Reaxys-RN	1910432
Chemical Name Translation	3-苯基丙酸乙酯
LabNetwork Molecule ID	LN00226542
InChI	InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
Canonical SMILES	CCOC(CCC1=CC=CC=C1)=O

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安全信息

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性

Precautionary statements

P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。

Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

海关编码:29163900
使用限量:FEMA(mg/kg)：软饮料1.8；冷饮1.0；糖果2.5；焙烤食品0.50～30。
TCI Shanghai:3-苯基丙酸乙酯 Ethyl 3-Phenylpropionate,>;98.0%(GC)(2021-28-5)
上游原料:肉桂酸乙酯
用途三:用于医药中间体，有机合成。
参考质量标准:FAO/WHO，2000 含量(GT-10-4) ≥98% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.492～1.497 相对密度(d 25 25 ) 1.009～1.017
FEMA:2455
用途一:用作医药中间体，也用于有机合成
食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称允许使用该种添加剂的食品中文名称添加剂功能最大允许使用量（g/kg）最大允许残留量（g/kg）苯丙酸乙酯食品食品用香料用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
MOL 文件:2021-28-5.mol
Acros Organics:3-苯基丙酸乙酯 Ethyl 3-phenylpropionate, 98%(2021-28-5)
MSDS 信息:3-Phenylpropionic acid ethyl ester(2021-28-5).msds
方法一:由肉桂酸乙酯在乙醇液中和镍催化下加氢氢化而成。
用途二:GB 2760--1996规定为允许使用的食品用香料。
图谱信息:3-苯丙酸乙酯(2021-28-5)质谱(MS) 3-苯丙酸乙酯(2021-28-5)核磁图( 13 CNMR) 3-苯丙酸乙酯(2021-28-5)红外图谱(IR1) 3-苯丙酸乙酯(2021-28-5)核磁图( 1 HNMR)
毒性:可安全用于食品(FDA，§172．515，2000)。
Sigma Aldrich:2021-28-5(sigmaaldrich)
Alfa Aesar:3-苯基丙酸乙酯,98+% Ethyl 3-phenylpropionate, 98+%(2021-28-5)
3-苯丙酸乙酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 P1304 3-苯基丙酸乙酯 Ethyl 3-Phenylpropionate 25G 383元 2014/06/02 P1304 3-苯基丙酸乙酯 Ethyl 3-Phenylpropionate 250G 1910元 2010/06/21 351770250 3-苯丙酸乙酯 Ethyl 3-phenylpropionate 98% 25 GR 516元
不溶于水。