CAS 103-26-4 MFCD00008458-Methyl cinnamate 肉桂酸甲酯 TAO{mole}

Methyl cinnamate 肉桂酸甲酯

CAS 103-26-4 MFCD00008458

化学结构图

SMILES: COC(=O)C=CC1CCCCC1

化学属性

Mol. Formula	C10H10O2
Mol. Weight	162.19
Boiling Point	260-262°C at 760 mmHg
Melting Point	34-38°C
Density	1.092
Refractive index	1.565
Flash Point	113°C
TSCA	Yes
Solubility	不溶
Appearance	D )1.0700。溶于乙醇、乙醚、甘油、丙二醇、大多数非挥发性油和矿物油，不溶于水。 20 )1.5670。相对密度(d 天然品含于罗勒油(可达52%)、高良姜油及桂叶油等中。 4 35 白色至微黄色结晶，呈樱桃和香酯似香{气。熔点34℃。沸点260℃，折射率(n
pH	:A

别名和识别编码

Chemical Name	Methyl cinnamate
Beilstein Registry Number	9(3)2680
PubChem Substance ID	637520
CAS Number	103-26-4
EC Number	203-093-8
MDL Number	MFCD00008458
Reaxys-RN	386468
Merck Number	2299
Synonym	Methyl cinnamate {LY} Methyl cinnamate {} {LY} Methyl cinnamate {} {} {LY} Methyl cinnamate {} {} {} {LY} Methyl cinnamate {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation	肉桂酸甲酯
Wiswesser Line Notation	1OV1U1R
InChI	InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
Canonical SMILES	O=C(OC)/C=C/C1=CC=CC=C1

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分类

{Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
{SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Animal Products, Basil, Cheese, Chromatography, Cinnamon, Dairy Products, Ester, Food & Beverage Standards, Fruits, Herbs & Spices, Jasmin, M, M-R, META - METH, Pepper, Plum, Strawberry, 化合物分类, 按字母排序, 食品饮料类产品, 香精香料
{SNA} All Alphab
{uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ester; 1fragment
{SNA} Alphabetical Listings,

安全信息

WGK Germany1

RTECSGE0190000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Signal word Warning

GHS Symbol

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；

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

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

Hazard statements

H303 May be harmfully swallowed 吞食可能有害

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2610 mg/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: 13,849,1975

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: 13,849,1975

Storage condition 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} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

使用限量:FEMA(mg/kg)：软饮料1.9；冷饮3.8；糖果8.7；焙烤食品13；布丁类1.7~14；胶姆糖2.7~40；调味品0.40。适度为限(FDA§172．515，2000)。
肉桂酸甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 C0360 肉桂酸甲酯 Methyl Cinnamate 500G 725元 2014/06/02 C0360 肉桂酸甲酯 Methyl Cinnamate 25G 142元 2010/06/21 279765000 肉桂酸甲酯 Methyl cinnamate 98% 500 GR 1074元
检测方法:GC
用途三:用于香料工业作定香剂，常用于调配康乃馨、东方型花香香精，用于肥皂、洗涤剂，也用于风味剂和糕点。作为有机合成中间体，主要用于医药工业。
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）肉桂酸甲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
Acros Organics:肉桂酸甲酯 Methyl cinnamate, 98%(103-26-4)
Sigma Aldrich:103-26-4(sigmaaldrich)
参考质量标准:FCC，1996 含量≥98.0% 酸值(OT-4) ≤2.0 醇中溶解度 lml溶于4ml80%乙醇铅(GT-18) ≤10mg/kg 重金属(以Pb计；GT-16-2，试样500mg) ≤0.004% 氯化物试验(OT-13) 阴性
MSDS 信息:3-Phenyl-2-propenoic acid methyl ester(103-26-4).msds
方法二:由肉桂酸与甲醇酯化而得。将肉桂酸、甲醇和硫酸的混合物加热回流5h，加收过量的甲醇。冷却，分去酸层，水洗后再用10%碳酸钠溶液洗涤，然后用水洗至中性。得粗品，经重结晶或减压蒸馏[收集132-134℃（2.0kPa）馏分]，得肉桂酸甲酯成品。收率约70%。
用途二:GB 2760—1996规定为暂时允许使用的食用香料。有良好定香作用。主要用于配制樱桃、草莓和葡萄等型香精。
用途一:主要用于配制樱桃、草莓和葡萄等香精
TCI Shanghai:肉桂酸甲酯 Methyl Cinnamate,>;99.0%(GC)(103-26-4)
FEMA:2698
含量分析:按酯测定法(OT-18)中的方法一测定。所取试样量为1g,计算中的当量因子(e)取81.10。或按气相色谱法(GT-10-4)中用非极性柱方法测定。
毒性:ADI 1.25(CE)。 LD 50 2610 mg/kg(大鼠，经口)。
方法一:由桂酸与甲醇在盐酸催化下加热酯化后分馏而得。
MOL 文件:103-26-4.mol
Alfa Aesar:肉硅酸甲酯,predominantlytrans,99% Methyl cinnamate, predominantly trans, 99%(103-26-4)
有强烈的果香和香脂香气，稀释时有草莓香韵。不溶于水,溶于乙醇、乙醚、甘油和大多数矿物油
上游原料:肉桂酸
图谱信息:肉桂酸甲酯(103-26-4)核磁图( 1 HNMR) 肉桂酸甲酯(103-26-4)质谱(MS) 肉桂酸甲酯(103-26-4)Raman光谱肉桂酸甲酯(103-26-4)红外图谱(IR1) 肉桂酸甲酯(103-26-4)红外图谱(IR3) 肉桂酸甲酯(103-26-4)核磁图( 13 CNMR) 肉桂酸甲酯(103-26-4)红外图谱(IR2)