2,3-HEXANEDIONE 2,3-己烷二酮

CAS 3848-24-6 MFCD00009398

化学结构图

3848-24-6
SMILES: CCCC(=O)C(C)=O

化学属性

Mol. FormulaC6H10O2
Mol. Weight114.14
Refractive indexn20/D 1.409
Vapor Density3.9 (vs air)
Boiling Point128 °C at 760 mmHg
Vapor Pressure10 mmHg ( 20 °C)
Density0.930 g/mL at 25 °C
Flash Point28°(82°F)
TSCAYes
Melting Point-30 °C
Appearance 黄色油状液体。呈奶油甜香味(弱于双乙酰)，有奶油和干酪味。沸点128℃。微溶于水，溶于丙二醇、乙醇和油类。 天然品存在于桃、烤鸡、牛肉、咖啡、发酵酱油等中。

别名和识别编码

Chemical Name2,3-HEXANEDIONE
Synonym Hexane-2,3-dione {LY} Hexane-2,3-dione {} {LY} Hexane-2,3-dione {} {} {LY} Hexane-2,3-dione {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hexane-2,3-dione {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00009398
CAS Number3848-24-6
PubChem Substance ID19707
EC Number223-350-8
Beilstein Registry Number1699896
Chemical Name Translation2,3-己烷二酮
Wiswesser Line Notation3VV1
LabNetwork Molecule IDLN00222306
InChIInChI=1S/C6H10O2/c1-3-4-6(8)5(2)7/h3-4H2,1-2H3
Canonical SMILESCCCC(=O)C(=O)C
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分类

  • {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, Certified Food Grade Products, E - H, Flavors and Fragrances, Follows IFRA Guidelines, Food Safe Elite, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alcoho
  • {
  • {SNA}
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, G-H, H-J, Kosher Certified Products
  • {SNA} Chemical Class, Alcoholic & Nonalcoholic Beverages, All Alphabetically Sorted,
  • {uni_hamburg} no charge; ketone; 1fragment
  • {SNA} Alcoholic & Nonalcoholic Beverages, Analytical Standards,
  • {SNA} A-D,

相关文献及参考

  • Beilstein: 1,IV,3687
  • Short: EINECS
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • 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
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMO3140000
Precautionary statements
  • 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。
  • P370+P378
  • 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
Signal word Warning
Packing GroupIII
UN Number UN 1224 3/PG 3 UN1224 1224
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R10 Flammable 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；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Hazard Codes Xi
Hazard Class3
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
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: 17,697,1979

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: 17,697,1979

其他信息

  • 图谱信息:2,3-已二酮(3848-24-6)红外图谱(IR2) 2,3-已二酮(3848-24-6)红外图谱(IR1) 2,3-已二酮(3848-24-6)核磁图( 1 HNMR)
  • Sigma Aldrich:3848-24-6(sigmaaldrich)
  • 下游产品:2-甲基-3-异丁基吡嗪
  • 上游原料:钨酸钠 --> 2-己酮
  • 方法一:由丙醛与乙酰乙酸乙酯缩聚后，经氧化(H2O2和钨酸钠)、水解后脱羧基而得。或由甲丁酮与乙丙酮经单肟而得。
  • 蒸气压:10 mm Hg ( 20 °C)
  • MOL 文件:3848-24-6.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） 2，3-己二酮 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
  • 使用限量:FEMA(mg/kg)：软饮料6.6；冷饮4.8；糖果7.3；焙烤制品6.6。 FDA，§172．515：适量为限。
  • 参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥90.0% 折射率(n D 20 ) 1.409～1.419
  • 蒸气密度:3.9 (vs air)
  • 2,3-已二酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 386220250 2,3-已二酮 2,3-Hexanedione 90+% 25 GR 958元 2010/06/21 386221000 2,3-已二酮 2,3-Hexanedione 90+% 100 GR 3160元 2010/05/25 L04669 2,3-己烷二酮, 94% 2,3-Hexanedione, 94% 5g 204元
  • FEMA:2558
  • Acros Organics:2,3-Hexanedione, 90+%(3848-24-6)
  • 用途一:GB 2760—1997规定为允许使用的食品用香料。
  • Alfa Aesar:2,3-己烷二酮,94% 2,3-Hexanedione, 94%(3848-24-6)
  • 毒性:GRAS(FEMA)。

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. Alphabetical Listings - Flavors and Fragrances
  4. G-H - 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
  6. C3 to C6 - Ketones
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Food & Beverage Standards - Chromatography
  5. Nutraceuticals - Food & Beverage Standards
  6. Flavors and Fragrances - Nutraceuticals
  7. G-L - Flavors and Fragrances
  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. C15 to C38

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