6-Methyl-5-hepten-2-one 6-甲基-5-庚烯-2-酮

CAS 110-93-0 MFCD00008905

化学结构图

110-93-0
SMILES: CC(=O)CCC=C(C)C

化学属性

Mol. FormulaC8H14O
Mol. Weight126.20
Density0.855
Refractive index1.4380 to 1.4420
Boiling Point73°C at 18 mmHg
Flash Point50.6 °C
TSCAYes
Melting Point-67°C
Solubility不溶
Appearance 无色液体。熔点为-67.1℃，沸点172-174℃，73℃（2.4kPa），58.5℃（1.33kPa），相对密度0.860（20/4℃），折光率1.4445，闪点50℃。能与醇、醚混溶，不溶于水。

别名和识别编码

Chemical Name6-Methyl-5-hepten-2-one
CAS Number110-93-0
EC Number203-816-7
Beilstein Registry Number1(3)3010
MDL NumberMFCD00008905
Synonym Sulcatone {LY} Sulcatone {} {LY} Sulcatone {} {} {LY} Sulcatone {} {} {} {LY} Sulcatone {} {} {} {} {LY} Sulcatone {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sulcatone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87572337
Reaxys-RN1741705
Chemical Name Translation6-甲基-5-庚烯-2-酮
Wiswesser Line Notation1Y1U3V1
LabNetwork Molecule IDLN00222821
InChIInChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3
Canonical SMILESCC(CC/C=C(C)\C)=O
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分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • {SNA} Alphabetical Listings,
  • {SA} Alphabetical Listings, Flavors and Fragrances, I-N, Kosher Certified Products, M-N
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones, Lavandula angustifolia (Lavendar tea), Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), 细胞生物学
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones,
  • {SNA} Alphabetical Listings, Certified Natural Products, Flavors and Fragrances, I-N, Kosher Certified Products, M-N
  • {SNA} Building Blocks,

相关文献及参考

  • Short: IV/18B
  • Short: IV/8I
  • Short: IV/20B
  • Beilstein:1(3)3010
  • Short: III/38B

安全信息

Signal word
GHS Symbol
WGK Germany1
Safety Statements
Risk Statements
  • R10 Flammable 易燃
Precautionary statements
  • P302+P352+P332+P313+P362+P364
  • 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。
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • P332+P313
  • P273 Avoid release to the environment. 避免释放到环境中。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • 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。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P241+P242+P243
  • P403+P235
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
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)
RTECSMJ9700000
Packing GroupIII
UN Number 1224
Hazard Codes
Hazard Class3
Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8° 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   MDZEAK Medizin und Ernaehrung.  (Stuttgart, Fed. Rep. Ger.)  V.1-13,
   1959-72.  Discontinued.  Volume(issue)/page/year: 8,244,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2410 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 32(8),52,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 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: 13,859,1975

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: 13,859,1975

其他信息

  • 甲基庚烯酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0252 2-甲基-2-庚烯-6-酮(=6-甲基-5-庚烯-2-酮) 2-Methyl-2-hepten-6-one (=6-Methyl-5-hepten-2-one) 25ML 130元 2010/06/21 330160050 甲基庚烯酮 6-Methyl-5-hepten-2-one 97.5% 5 ML 278元 2010/06/21 330165000 甲基庚烯酮 6-Methyl-5-hepten-2-one 97.5% 500 ML 1158元
  • Alfa Aesar:6-甲基-5-庚烯-2-酮,98% 6-Methyl-5-hepten-2-one, 98%(110-93-0)
  • 图谱信息:甲基庚烯酮(110-93-0)核磁图( 13 CNMR) 甲基庚烯酮(110-93-0)核磁图( 1 HNMR) 甲基庚烯酮(110-93-0)红外图谱(IR2) 甲基庚烯酮(110-93-0)红外图谱(IR1) 甲基庚烯酮(110-93-0)Raman光谱 甲基庚烯酮(110-93-0)质谱(MS)
  • 室温下散发出药草香和果香。溶于一切常规有机溶剂,不溶于水。
  • 上游原料:异戊二烯
  • 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） 6-甲基-5-庚烯-2-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
  • 下游产品:柠檬醛 --> 芳樟醇 --> 垅牛儿酸 --> 6-氨基-2-甲基-2-庚醇
  • 用途二:该品具有水果香气和新鲜清香香气，我国 GB 2760-86规定为允许使用的食用香料，主要用以配制香蕉、梨、柑橘和浆果类香精。但很少直接作为香料，而用来作为合成香料的原料。例如用来合成假紫罗兰酮和柠檬醛。也用于其他有机合成。
  • 海关编码:29141990
  • FEMA:2707
  • MOL 文件:110-93-0.mol
  • Sigma Aldrich:110-93-0(sigmaaldrich)
  • TCI Shanghai:6-甲基-5-庚烯-2-酮 2-Methyl-2-hepten-6-one (=6-Methyl-5-hepten-2-one),>;98.0%(GC)(110-93-0)
  • MSDS 信息:Methylheptenone(110-93-0).msds
  • 用途一:是重要的医药中间体
  • 方法一:甲基庚烯酮广泛存在于各种精油中。工业合成可有多种方法，例如异丁烯、甲醛和丙酮在250℃、30MPa的条件下反应可得到该品。
  • Acros Organics:6-Methyl-5-hepten-2-one, 99%(110-93-0)

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Kosher Certified Products - Flavors and Fragrances
  4. I-N - Kosher Certified Products
  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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C7 to C8 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C3 to C6
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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