Allyl Cyclohexylpropionate 环己基丙酸烯丙基酯

CAS 2705-87-5 MFCD00059557

化学结构图

2705-87-5
SMILES: C=CCOC(=O)CCC1CCCCC1

化学属性

Mol. FormulaC12H20O2
Mol. Weight196.29
Refractive index1.4600 to 1.4610
Boiling Point91°C at 1 mmHg
Density0.948
Flash Point108.7±12.3 °C
Appearance 无色或淡黄色透明液体，具有菠萝似香气和滋味。沸点91℃(133Pa)。混溶于乙醇、乙醚、氯仿和非挥发性油，几乎不溶于水和甘油。大白鼠经口LD 50 585mg/kg。

别名和识别编码

Chemical NameAllyl Cyclohexylpropionate
MDL NumberMFCD00059557
CAS Number2705-87-5
PubChem Substance ID17617
EC Number220-292-5
Synonym Allyl 3-cyclohexylpropanoate {LY} Allyl 3-cyclohexylpropanoate {} {LY} Allyl 3-cyclohexylpropanoate {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohexylpropanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Allyl 3-cyclohex
Chemical Name Translation环己基丙酸烯丙基酯
Reaxys-RN2254663
Beilstein Registry Number2254663
Wiswesser Line NotationL6TJ AOV2 C2U1
LabNetwork Molecule IDLN00194061
InChIInChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
Canonical SMILESO=C(OCC=C)CCC1CCCCC1
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分类

  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {SA} Allyl Monomers, Materials Science, Monomers, Polymer Science

产品应用

  • 具有温和的菠萝香味，用作赋香剂。

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H332 Harmful if inhaled 吸入有害
  • H302 Harmful if swallowed 吞食有害
  • H312 Harmful in contact with skin 皮肤接触有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSGV6735000
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xn
Safety Statements
  • 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；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Packing GroupIII
Hazard Class6.1(b)
UN Number 2810 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 585 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Skin and Appendages - hair
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 380 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - changes in structure or function of salivary glands
   Blood - hemorrhage
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 方法一:由环己基丙酸和烯丙酸在苯存在情况下直接酯化而成。
  • 毒性分级:中毒
  • 菠萝酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C0485 环己基丙酸烯丙酯 Allyl Cyclohexanepropionate 500ML 4940元 2014/06/02 C0485 环己基丙酸烯丙酯 Allyl Cyclohexanepropionate 25ML 422元
  • 急性毒性:口服-大鼠 LD50： 585 毫克/公斤; 口服-豚鼠LD50: 380 毫克/公斤
  • 用途二:GB 2760--1996规定为允许使用的食用香料。主要用于配制菠萝等水果型香精。
  • 类别:有毒物品
  • 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） 3-环己基丙酸烯丙酯 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
  • 用途一:用作食品添加剂
  • 菠萝酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/04/16 C0485 环己基丙酸烯丙酯 Allyl Cyclohexanepropionate 500ML 8470元 2011/04/16 C0485 环己基丙酸烯丙酯 Allyl Cyclohexanepropionate 25ML 732元
  • 方法二:将烯丙醇和环己基丙酸溶解于苯中，在硫酸的存在下直接酯化而得成品。
  • 用途五:具有温和的菠萝香味，用作赋香剂。
  • Sigma Aldrich:2705-87-5(sigmaaldrich)
  • 几乎不溶于水，易溶于乙醇、乙醚、氯仿等有机溶剂。
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • MOL 文件:2705-87-5.mol
  • FEMA:2026
  • 用途四:该品具有温和的菠萝香味，用作赋香剂。日本法定的化学合成赋香剂有95个品种，规定了这些品种的使用标准，不得用于赋香以外的目的。按日本《食品添加物公定书》规定，该品纯度为98%-102%。
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • 方法三:将环己基丙酸和烯丙醇溶于苯中。在硫酸存在下酯化。
  • 上游原料:丙烯醇 --> 醇溶 --> 3-环己基丙酸
  • 用途三:是我国《食品添加剂使用卫生标准》规定允许使用的食品香料，主要用于配制菠萝等水果型食用香精。在胶姆糖中使用量为30mg/kg；糖果中13mg/kg；布丁类中7.7mg/kg；烘烤食品中7.1mg/kg；软饮料中3．7mg/kg；冷饮中3.1mg/kg。
  • 图谱信息:菠萝酯(2705-87-5)核磁图( 13 CNMR) 菠萝酯(2705-87-5)质谱(MS) 菠萝酯(2705-87-5)核磁图( 1 HNMR)
  • 储运特性:库房通风低温干燥; 与食品原料分开存放
  • TCI Shanghai:环己基丙酸-2-丙烯酯 Allyl Cyclohexanepropionate,>;98.0%(GC)(2705-87-5)

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. Halal Certified 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. A-B - Alphabetical Listings

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