Phenethyl Cinnamate 肉桂酸苯乙酯

CAS 103-53-7 MFCD00022050

化学结构图

103-53-7
SMILES: O=C(/C=C/c1ccccc1)OCCc1ccccc1

化学属性

Mol. FormulaC17H16O2
Mol. Weight252.31
Melting Point54-56°C
Flash Point254.2±14.0 °C
Density1.108
Appearance 白色晶体或无定形粉末。呈玫瑰似甜香气，稀释后似李子香气。熔点58℃，沸点170℃(133Pa)，凝固点54～56~C。溶于热乙醇和油类，溶于乙醇但略生浑浊，不溶于水。
Boiling Point405.9±24.0 °C at 760 mmHg

别名和识别编码

Chemical NamePhenethyl Cinnamate
CAS Number103-53-7
MDL NumberMFCD00022050
Synonym Phenethyl cinnamate {LY} Phenethyl cinnamate {} {LY} Phenethyl cinnamate {} {} {LY} Phenethyl cinnamate {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenethyl cinnamate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID5369459
EC Number203-120-3
Chemical Name Translation肉桂酸苯乙酯
Wiswesser Line NotationR2OV1U1R
Reaxys-RN1970534
InChIKeyMJQVZIANGRDJBT-VAWYXSNFSA-N
InChIInChI=1S/C17H16O2/c18-17(12-11-15-7-3-1-4-8-15)19-14-13-16-9-5-2-6-10-16/h1-12H,13-14H2/b12-11+
Canonical SMILESO=C(OCCC1=CC=CC=C1)/C=C/C2=CC=CC=C2
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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 Listings, Flavors and Fragrances, Kosher Certified Products, O-P, O-Z
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products, N-P, O-P, O-Z

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSGE0405000
Precautionary statements
  • 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
  • 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。
  • P332+P313
Signal word Warning
Hazard Codes Xi
Safety Statements
  • 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 Wear suitable protective clothing 穿戴适当的防护服；
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4500 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: 16,845,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4500 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: 16,845,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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: 16,845,1978

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

  • 可燃性危险特性:可燃; 燃烧排放刺激烟雾
  • 参考质量标准:FAO WHO，2001 含量(GT-10-4) ＞98g 酸值(0T-4) ≤1.0 熔点 ≥54℃
  • 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） 肉桂酸苯乙酯 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
  • 毒性分级:中毒
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度
  • 似玫瑰香气。
  • 储运特性:通风低温干燥
  • 方法一:由苯乙醇与桂酸甲酯反应而得。
  • MOL 文件:103-53-7.mol
  • 上游原料:苯乙醇 --> 桂酸甲酯
  • FEMA:2863
  • 用途一:GB 2760 1996规定为允许使用的食用香料。主要用以配制桃子、杏子、樱桃和草莓等型香精。
  • 使用限量:FEMA(mg/kg)：软饮料1.7；冷饮0.80；糖果3.2；焙烤食品3.1；布丁类0.10。 适度为限(FDA§172．515，2000)。
  • 急性毒性:口服-大鼠 LD50: 5000 毫克/公斤; 口服-小鼠 LD50: 4500 毫克/公斤
  • Sigma Aldrich:103-53-7(sigmaaldrich)
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 类别:有毒物品

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. O-P - Alphabetical Listings

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