α-Methylbenzyl acetate 1-苯乙酸乙酯

CAS 93-92-5 MFCD00008858

化学结构图

93-92-5
SMILES: CC(=O)OC(C)c1ccccc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Refractive indexn20/D 1.494(lit.)
Boiling Point288°C at 760 mmHg
Density1.028 g/mL at 25 °C(lit.)
Flash Point95 ºC
Appearance 无色液体。呈强烈栀子花清香气。沸点214℃，闪点81℃。溶于乙醇和大多数非挥发性油，易溶于甘油和矿物油，不溶于水。 天然品存在于栀子花等精油中。
Melting Point-60 °C

别名和识别编码

Chemical Nameα-Methylbenzyl acetate
MDL NumberMFCD00008858
CAS Number93-92-5
Synonym 1-Phenylethyl acetate {LY} 1-Phenylethyl acetate {} {LY} 1-Phenylethyl acetate {} {} {LY} 1-Phenylethyl acetate {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1-Phenylethyl acetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID62341
EC Number202-288-5
Chemical Name Translation1-苯乙酸乙酯
Beilstein Registry Number1908635
LabNetwork Molecule IDLN00194459
InChIInChI=1S/C10H12O2/c1-8(12-9(2)11)10-6-4-3-5-7-10/h3-8H,1-2H3
Canonical SMILESCC(C1=CC=CC=C1)OC(=O)C
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分类

  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I - N, Kosher Certified Products, L-M, M-N
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, I-N, Kosher Certified Products, M-N
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, L-M, M-N

安全信息

WGK Germany1
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)
RTECSDO9410000
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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: 14,611,1976

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: 14,611,1976

Storage condition

其他信息

  • 上游原料:苯乙醇 --> 甲基苯基原醇
  • FEMA:2684
  • 用途二:是调配栀子花、晚香玉香型的重要香料。适量用于茉莉、风信子、铃兰、紫丁香、玉兰型。微量用于玫瑰型有提调清香的效能。在现代香精中，作为头香，可获得很好的效果。广泛应用于食用香精，特别是需要有“尖锐”果香者，如苹果、凤梨等香精。
  • 用途一:GB 2760--1996规定为允许使用的食用香料。主要用以配制树莓、菠萝、杏、梅、桃、草莓、茶叶、蔬菜、苹果等型香精。
  • 方法一:由甲基苯基原醇进行乙酰化葡得。 由苯甲醛与溴化甲基镁反应后再乙酰化而成。 由一苯乙醇与醋酐酯化而得。
  • Sigma Aldrich:93-92-5(sigmaaldrich)
  • MOL 文件:93-92-5.mol
  • MSDS 信息:Styralyl acetate(93-92-5).msds

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Certified Food Grade Products - Flavors and Fragrances
  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings

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