2-​Propen-​1-​ol, 3-​phenyl-​, 1-​acetate 乙酸桂酯

CAS 103-54-8 MFCD00008722

化学结构图

103-54-8
SMILES: CC(=O)OCC=Cc1ccccc1

化学属性

Mol. FormulaC11H12O2
Mol. Weight176.21
Refractive index1.5390 to 1.5430
Boiling Point265°C at 760 mmHg
Density1.057
Flash Point113°C
Appearance 无色至淡黄色透明液体,呈甜的香脂和玫瑰及岩兰草混合香气。闪点118℃,沸点264℃。混溶于乙醇、氯仿、乙醚和大多数非挥发性油,几不溶于甘油和水。 天然品存在于桂皮油中。
Melting Point30 °C

别名和识别编码

Chemical Name2-​Propen-​1-​ol, 3-​phenyl-​, 1-​acetate
MDL NumberMFCD00008722
CAS Number103-54-8
Synonym Cinnamyl acetate {LY} Cinnamyl acetate {} {LY} Cinnamyl acetate {} {} {LY} Cinnamyl acetate {} {} {} {LY} Cinnamyl acetate {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Cinnamyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID5282110
EC Number203-121-9
Reaxys-RN2046000
Beilstein Registry Number2046000
Chemical Name Translation乙酸桂酯
InChIKeyWJSDHUCWMSHDCR-VMPITWQZSA-N
Wiswesser Line Notation1VO2U1R
InChIInChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3/b8-5+
Canonical SMILESCC(OC/C=C/C1=CC=CC=C1)=O
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分类

  • {SNA} A - D, A-F, Alphabetical, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Cinnamomum, Cinnamon, Ester, Esters, Food & Beverage Standards, Fruits,

相关文献及参考

  • Merck: 14,10257
  • Merck: 14,10257 Beilstein: 6,II,527
  • Short: EINECS
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H303 May be harmfully swallowed 吞食可能有害
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGE2275000
Precautionary statements
  • P305+P351+P338
  • P332+P313
Signal word Warning
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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
Hazard Codes Xi
Risk Statements
  • R36 Irritating to eyes 刺激眼睛
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4750 mg/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       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PHMCAA Pharmacologist.  (American Soc. for Pharmacology and Experimental
   Therapeutics, 9650 Rockville Pike, Bethesda, MD 20014)  V.1-    1959-
   Volume(issue)/page/year: 3,62,1961

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3300 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: 11,1063,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 4750 mg/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

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

  • 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) 乙酸肉桂酯 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
  • MSDS 信息:Cinnamyl acetate(103-54-8).msds
  • 乙酸桂酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 A0901 乙酸肉桂酯 Cinnamyl Acetate 500ML 1280元 2011/04/16 A0901 乙酸肉桂酯 Cinnamyl Acetate 25ML 182元
  • 参考质量标准:FCC,1996 含量 ≥98.0% 折射率(n D 25 ) 1.539~1.543 相对密度(d 25 ) 1.050~1.054 酸值(OT-4) ≤1.0
  • 毒性:ADI 1.25mg/kg(CE)。 LD 50 3.3g/kg(大鼠,经口)。
  • FEMA:2293
  • 用途二:可作为桂醇的修饰剂,有好的定香能力,适量用于香石竹、风信子、紫丁香、铃兰、茉莉、栀子、兔耳草花、黄水仙等花香香精中。用入玫瑰,有增加暖甜的作用,但用量宜少;与香叶共用,可得美好玫瑰格调。也常用于食用香精如樱桃、葡萄、桃子、杏子、苹果、浆果、风梨、桂皮、肉桂等香味型中。
  • 使用限量:FEMA(mg/kg):软饮料2.7;冷饮6.5;糖果16;焙烤食品11;胶姆糖8.7;调味品2.0。 适度为限(FDA§172.515,2000)。
  • TCI Shanghai:乙酸肉桂酯 Cinnamyl Acetate,>;97.0%(GC)(103-54-8)
  • Sigma Aldrich:103-54-8(sigmaaldrich)
  • 上游原料:乙酐 --> 无水醋酸钠 --> 肉桂醇 --> 桂醇
  • 用途一:用于香石竹、风信子、紫丁香、水仙等花香型日用香精中,亦用于苹果、菠萝、肉桂等食用香精
  • 易溶于乙醇、乙醚,几乎不溶于水和甘油。有温和甜味的花香。
  • 方法二:由肉桂醇与乙酸直接酯化而得。酯化反应后,经中和、洗涤、干燥、真空蒸馏即得成品。
  • MOL 文件:103-54-8.mol
  • 用途四:配制香皂、日用化妆香精。在调配铃兰、素馨和栀子花香精以及东方风味的香水中用作定香剂及香成分。作为食用香料,按日本《食品添加物公定书》的规定,要求纯度在98%以上,且不得用于加香以外的目的。
  • 用途三:GB 2760—96规定为允许使用的食用香料。主要用于配制桂皮、苹果、樱桃和菠萝等型香精。
  • 图谱信息:乙酸桂酯(103-54-8)红外图谱(IR1)
  • 含量分析:按酯测定法(OT-18)中的方法一进行测定。所取试样量为1.2g。计算中的当量因子(e)取88.11。
  • 方法一:由桂醇与乙酸酐在无水醋酸钠存在下酯化而得。
  • 乙酸桂酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0901 乙酸肉桂酯 Cinnamyl Acetate 500ML 1450元 2014/06/02 A0901 乙酸肉桂酯 Cinnamyl Acetate 25ML 208元

系列性分类


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