CAS 103-36-6 MFCD00009189-Ethyl cinnamate 肉桂酸乙酯 TAO{mole}

Ethyl cinnamate 肉桂酸乙酯

CAS 103-36-6 MFCD00009189

化学结构图

SMILES: CCOC(=O)/C=C/c1ccccc1

化学属性

Mol. Formula	C11H12O2
Mol. Weight	176.21
Density	1.049
Refractive index	n20/D 1.558(lit.)
Boiling Point	271 °C at 760 mmHg
Melting Point	6-8 °C
Flash Point	>110°C
TSCA	Yes
Solubility	不溶
Stability	对光敏感
Appearance	无色油状液体，熔点12℃（6.5-7.5℃），沸点271.5℃，144℃（2.0kPa），相对密度1.4091，折光率1.5598，能与乙醇、乙醚混溶，不溶于水，肉桂酸乙酯(103-36-6)为反式酯，其顺式异构体称别肉桂酸乙酯，在暗室中长期贮存能发出蔷薇红色荧光，透过光线常有绿色，同时能生成不溶性的白色粉末。

别名和识别编码

Chemical Name	Ethyl cinnamate
CAS Number	103-36-6
EC Number	203-104-6
Beilstein Registry Number	775541
MDL Number	MFCD00009189
Synonym	Ethyl cinnamate {LY} Ethyl cinnamate {} {LY} Ethyl cinnamate {} {} {LY} Ethyl cinnamate {} {} {} {LY} Ethyl cinnamate {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Ethyl cinnamate {} {} {} {} {} {} {} {
PubChem Substance ID	637758
Merck Number	14,2299
Reaxys-RN	775541
Chemical Name Translation	肉桂酸乙酯
Wiswesser Line Notation	2OV1U1R
LabNetwork Molecule ID	LN00221569
InChI	InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3/b9-8+
Canonical SMILES	O=C(OCC)/C=C/C1=CC=CC=C1

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

产品应用

香精的定香剂和变调剂。玻璃棱镜

安全信息

Signal word Warning

GHS Symbol

WGK Germany1

Safety Statements

S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；

Risk Statements

R22 Harmful if swallowed 吞咽有害
R20 Harmful by inhalation 吸入有害
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

P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338

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)

RTECSGD9010000

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

Storage condition 2-8°C {LY} 2-8°C Refrigerator (+4°C) {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY}

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 12,719,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   VPITAR Voprosy Pitaniya.  Problems of Nutrition.  (V/O Mezhdunarodnaya
   Kniga, 113095 Moscow, USSR) V.1-10, 1932-41; V.11-    1952-
   Volume(issue)/page/year: 33(5),48,1974

其他信息

方法二:在硫酸存在下，将肉桂酸和乙醇进行酯化反应（收率约60%）而得。也可由苯甲醛与乙酸乙酯反应而得。
方法一:苯甲醛与乙酸乙酯在金属钠存在下化合而得。由桂酸、乙醇、硫酸在硫酸铝存在下加热至100℃而得。
下游产品:奥扎格雷 --> 3-苯丙醇 --> 3-苯丙酸乙酯
{Chemica
参考质量标准:指标名称 FAO/WHO，2000 含量 ≥99.0%(GT-10-4) 折射率(n D 20 ) 1.558～1.562 醇中溶解度(OT-43) - 相对密度(d 25 25 ) 1.044～1.051 酸值(OT-4) ≤1.0 色泽(GT-11-2) -
使用限量:FEMA(mg/kg)：软饮料4.1；冷饮8.8；糖果9.5；焙烤食品12；布丁类2.4；胶姆糖1l～40。适度为限(FDA§172．515，2000)。
肉桂酸乙酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0359 肉桂酸乙酯 Ethyl Cinnamate 25G 131元 2014/06/02 C0359 肉桂酸乙酯 Ethyl Cinnamate 500G 683元 2010/06/21 150530050 肉桂酸乙酯 Ethyl cinnamate , 98% trans 5 GR 222元
毒性:ADI 1.25 mg/kg(CE)。 LD 50 4000m/kg(大鼠，经口)。
用途四:适量用于玫瑰、水仙、龙涎香-琥珀香、柑橘香、香薇、素心兰、古龙、重东方型和木香-熏香型等香精中。在香皂、盥用水类、粉类香精中能协调其他膏香，并有定香作用。也可作为食用香料用于樱桃、葡萄、草莓、悬钩子、桃子、梅子、桂皮、
微有桂皮得味。在光和热作用下易发生聚合。在苛性碱作用下发生水解。能与乙醇和乙醚混溶，不溶于水。低毒，半数致死量(大鼠，经口)400mg/kg。
MSDS 信息:Ethyl 3-phenyl propenoate(103-36-6).msds
用途三:GB 2760—96规定为暂时允许使用的食用香料。主要用于配制草莓、树莓、李、樱桃等型香精。因沸点高而稳定，宜用于焙烤类食品。
FEMA:2430
TCI Shanghai:肉桂酸乙酯 E
用途二:用于香料工业
用途五:该品存在于天然苏合香中，具有似水果的香气，气息清而甜润，有东方香调。与香紫菌滑及天然果子精油合用效果较好，用于香粉、香水、香精中更佳。食用杨梅香精中亦可使用。
微有桂皮得味。在光和热作用下易发生聚合。在苛性碱作用下发生水解。能与乙醇和乙醚混溶，不溶于水。低毒，半数致死量(大鼠，经口)401mg/kg。
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）肉桂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
香精香料应用:肉桂酸乙酯又称β-苯基丙烯酸乙酯、3-苯丙酸乙酯，常温下为无色油状液体。天然存在于番石榴、草莓、白及红葡萄酒、白兰地、朗姆酒、香荚兰、霸王树中。香气特征描述：甜的琥珀膏香，甜橙和葡萄样底韵，具有优雅的香脂香和蜜香-花香等香气。味道：有力的甜果香、梅子、樱桃样的香味、甜的水果味，香膏香、浆果、混合甜饮料、青
Alfa Aesar:肉桂酸乙酯,98+% Ethyl cinnamate, 98+%(103-36-6)
Acros Organics:肉桂酸乙酯 Ethyl cinnamate, 98% trans(103-36-6)
含量分析:按酯测定法(OT-18)中的疗法一测定。所取试样量为1.2g。计算中的当量因子(e)取88.11。或按GT-10-4中用极性柱方法测定。
上游原料:钠 --> 硫酸铝 --> 肉桂酸 --> 酸乙醇
MOL 文件:103-36-6.mol