2-Pentyl-3-Methyl-2-Cyclopenten-1-One 二氢茉莉酮

CAS 1128-08-1 MFCD00036480

化学结构图

1128-08-1
SMILES:

化学属性

Mol. FormulaC11H18O
Mol. Weight166.26
Density0.916
Boiling Point120-121
Refractive index1.4780 to 1.4810
Flash Point96°C(lit.)
TSCAYes
Appearance 几乎无色至微黄色液体。沸点230℃，相对密度0.915-0.920，折射率 1.475-1.481，闪点130℃，溶于1-10体积70%乙醇或同体积80%乙醇中，溶于油质香料。香气为强的青气和花香清鲜气带果香，浓时青中带苦涩气，稀释后有茉莉花清香。

别名和识别编码

Chemical Name2-Pentyl-3-Methyl-2-Cyclopenten-1-One
MDL NumberMFCD00036480
CAS Number1128-08-1
Synonym Dihydrojasmone {JNK} 2-Amyl-3-methyl-2-cyclopenten-1-one 2-N-AMYL-3-METHYL-2-CYCLOPENTEN-1-ONE 2-PENTYL-3-METHYL-2-CYCLOPENTEN-1-ONE 3-METHYL-2-PENTYL-2-CYCLOPENTENONE DI JASMONE DIHYDROJASMONE {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} Tetrahy-dropyrethrone 二氢茉莉酮
PubChem Substance ID87567941
Beilstein Registry Number1906471
EC Number214-434-5
Chemical Name Translation二氢茉莉酮
Reaxys-RN1906471
Wiswesser Line NotationL5V BUTJ B5 C1
LabNetwork Molecule IDLN00238540
Canonical SMILESO=C1C(CCCCC)=C(C)CC1
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分类

  • {SNA} A - D,
  • {SNA} A-F, All Alphabetically Sorted, Analytical Standards, Analytical/Chromatography, Chemical Class, Chromatography, Flavors and Fragrances, Food & Beverage Standards, Ketone, Ketones, Natural Compounds, Natural Terpene Standards, Substance Classification
  • {SNA} A-F, A-L, Additional Standards, Analytical Standards, Chemical Class, Flavor and Fragrance Standards, Food & Beverage Standards, Food and Cosmetic Component Standards, Ketone, Ketones, Natural Compounds, Natural Terpene Standards,
  • {SNA} A - D,

安全信息

RTECSGY7302000
WGK Germany2
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) Eyeshields, Gloves
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • 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。
GHS Symbol 
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: 12,523,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2500 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: 12,523,1974

Storage condition 2-8°C

其他信息

  • 图谱信息:二氢茉莉酮(1128-08-1)核磁图( 1 HNMR) 二氢茉莉酮(1128-08-1)核磁图( 13 CNMR) 二氢茉莉酮(1128-08-1)红外图谱(IR1) 二氢茉莉酮(1128-08-1)质谱(MS)
  • 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） 二氢茉莉酮 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:2-Pentyl-3-methyl-2-cyclopenten-1-one(1128-08-1).msds
  • Sigma Aldrich:1128-08-1(sigmaaldrich)
  • 二氢茉莉酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D1440 二氢茉莉酮 Dihydrojasmone 25ML 571元 2010/05/25 A19298 二氢茉莉酮, 97% Dihydrojasmone, 97% 25g 323元 2010/05/25 A19298 二氢茉莉酮, 97% Dihydrojasmone, 97% 100g 876元
  • FEMA:3763
  • 用途四:该品具有强烈而持久的茉莉香气及浓而温和的果香，常用作化妆品香精的香原料。
  • 方法一:有多种合成法，将茉莉酮催化还原，或将2,5-十一烷二酮在氢氧化钠乙醇溶液中缩合，或由丙烯酸酯与重辛醇在过氧化物催化下缩合，然后脱水重排，都可制得二氢茉莉酮。十一烷二酮法。将2,5-十一烷二酮、乙醇、2%氢氧化钠溶液在氮气保护下加热回流6h，将反应液浓缩后用石油醚提取，提取液蒸除溶剂后减压蒸馏，收集113-115℃（1.33kPa）馏分，即得成品。
  • 用途二:通常微量用于香精配方。在果香-花香型中可以提调花香之气势，如用于茉莉、依兰、铃兰、玉兰、晚香玉等花香型香精中。微量与果香共用，可产生愉快的头香。它有增强香柠檬、薰衣草、杂薰草、香紫苏和其他药草香型的香气功能。在柑橘型香精中可得好的底香。
  • TCI Shanghai:二氢茉莉酮 Dihydrojasmone,>;98.0%(GC)(1128-08-1)
  • MOL 文件:1128-08-1.mol
  • 上游原料:6-苄氨基嘌呤 --> 茉莉酮 --> 氢氧化钠-乙醇溶液 --> 十一烷
  • 用途一:用于配制茉莉等花香型香精
  • Alfa Aesar:二氢茉莉酮,97% Dihydrojasmone, 97%(1128-08-1)
  • 用途三:该品具有强烈而持久的茉莉香气及浓而温和的果香，常用作化妆品香精的香原料，在茉蓝型香精中用量可达3-5%。

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. C-D - Alphabetical Listings
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Natural Compounds - Chemical Class
  5. Natural Terpene Standards - Natural Compounds

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