Allyl-α-ionone 烯丙基-α-紫罗兰酮

CAS 79-78-7 MFCD00052729

化学结构图

79-78-7
SMILES: C=CCCC(=O)C=CC1C(C)=CCCC1(C)C

化学属性

Mol. FormulaC16H24O
Mol. Weight232.36
Refractive indexn20/D 1.505(lit.)
Boiling Point102-104 °C/0.2 mmHg(lit.)
Density0.928 g/mL at 25 °C(lit.)
Flash Point>;230 °F
Appearance 无色至淡黄色油状液体。呈较差的菠萝似水果和木材香气。沸点265℃，闪点100℃。溶于乙醇，不溶于水。

别名和识别编码

Chemical NameAllyl-α-ionone
MDL NumberMFCD00052729
CAS Number79-78-7
PubChem Substance ID5365976
EC Number201-225-9
Synonym Allyl-α-ionone {LY} Allyl-α-ionone {} {LY} Allyl-α-ionone {} {} {LY} Allyl-α-ionone {} {} {} {LY} Allyl-α-ionone {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl-α-ionone {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation 烯丙基-α-紫罗兰酮
Wiswesser Line NotationL6AUTJ B1 C1U1V3U1 D1 D1
Beilstein Registry Number3133731
InChIInChI=1S/C16H24O/c1-5-6-9-14(17)10-11-15-13(2)8-7-12-16(15,3)4/h5,8,10-11,15H,1,6-7,9,12H2,2-4H3/b11-10+
Canonical SMILESO=C(C=CC1C(=CCCC1(C)C)C)CCC=C
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分类

  • {SNA} A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves
RTECSMI5550000 
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: 11,493,1973

Storage condition

其他信息

  • 方法一:在甲醇钠存在下，由柠檬醛与烯丙基丙酮先行缩合，然后在三氟化硼催化下，环合而成。
  • MOL 文件:79-78-7.mol
  • FEMA:2033
  • 用途一:GB 2760--1996：规定为允许使用的食品用香料。主要用于配制菠萝等水果型香精。
  • Sigma Aldrich:79-78-7(sigmaaldrich)
  • 灭火剂:雾状水、泡沫、砂土、二氧化碳、1211灭火剂
  • 毒性分级:低毒
  • 可燃性危险特性:明火、受热、氧化剂可燃; 燃烧放出刺激气体
  • 上游原料:柠檬醛
  • 类别:易燃液体
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度
  • 急性毒性:皮肤-兔子LD50: >;5000 毫克/公斤
  • 储运特性:库房通风低温干燥; 轻装轻卸、与氧化剂和酸类分开存放

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Halal Certified Products - Flavors and Fragrances

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