Hept-3-En-2-One 3-庚烯2-酮

CAS 1119-44-4 MFCD00015564

化学结构图

1119-44-4
SMILES: CCC/C=C\C(C)=O

化学属性

Mol. FormulaC7H12O
Mol. Weight112.17
Density0.805 g/mL at 25 °C(lit.)
Refractive index1.4420 to 1.4450
Flash Point49°C(lit.)
TSCAYes
Boiling Point157.8°C at 760 mmHg
Appearance )1.4325，反式(n D )1.4436。几不溶于水，溶于乙醇和油类。 20 天然品存在于炒榛子等中。 4 )0.8496。折射率，顺式(n 无色油状液体，呈强烈尖刺青草气味。沸点162℃，顺式34～39℃(1466Pa)，反式51～52℃(1466Pa)。相对密度，顺式(d )0.8840，反式(d

别名和识别编码

Chemical NameHept-3-En-2-One
Synonym Hept-3-en-2-one {LY} Hept-3-en-2-one {} {LY} Hept-3-en-2-one {} {} {LY} Hept-3-en-2-one {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3-en-2-one {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hept-3
MDL NumberMFCD00015564
CAS Number1119-44-4
EC Number214-278-8
Beilstein Registry Number1(4)3481
Chemical Name Translation3-庚烯2-酮
Reaxys-RN1739239
PubChem Substance ID5364578
InChIKeyJHHZQADGLDKIPM-AATRIKPKSA-N
LabNetwork Molecule IDLN02219981
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h5-6H,3-4H2,1-2H3/b6-5+
Canonical SMILESCCCC=CC(=O)C
信息真实价格透明    资金保障    专业采购外包团队在线服务   
信息真实价格透明    资金保障    专业采购外包团队在线服务   
品牌质保精细包装    现货库存    一流品牌服务   

分类

  • {uni_hamburg} no charge; ketone; 1fragment
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SNA} A-D, Alphabetical Listings, C-D, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products
  • {SNA} Building Blocks, C7 to C8, Carbonyl Compounds, Chemical Synthesis, Ketones,

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.

安全信息

Packing GroupIII
UN Number 1224 UN1224
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R11 Highly flammable 非常易燃
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S37 Wear suitable gloves 戴适当手套；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
GHS Symbol
WGK Germany3
Precautionary statements
  • 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。
  • 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。
  • P305+P351+P338
  • P303+P361+P353
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Signal word Danger Warning
Hazard Codes F Xi
Hazard Class3
Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {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°

其他信息

  • MOL 文件:1119-44-4.mol
  • 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-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
  • FEMA:3400
  • 使用限量:FEMA(mg/kg)：软饮料、冷饮1.0；糖果、焙烤食品、胶冻、布丁2.0；牛奶、乳制品0.7。
  • 方法一:顺式由1-戊炔与醋酐反应而得3-庚炔-2-酮，然后部分催化加氢而成。反式由反-2-已烯酸用甲基锂处理而得。 由丁醛与丙酮在碱性条件下缩合而得
  • 下游产品:稀禾定 --> 5-[2-(乙硫基)丙基]-1,3-环己二酮
  • 上游原料:丁醛 --> 3-庚炔 --> 1-戊炔 --> 反-2-已烯
  • 用途一:GB 2760--1996规定为允许使用的食品用香料。
  • Alfa Aesar:3-庚烯2-酮,97% 3-Hepten-2-one, 97%(1119-44-4)
  • 毒性:GRAS(FEMA)。
  • TCI Shanghai:3-庚烯-2-酮 3-Hepten-2-one,>;96.0%(GC)(1119-44-4)

系列性分类

  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

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