2,6-Dimethyl-4-Heptanone 2,6-二甲基-4-庚酮

CAS 108-83-8 MFCD00008940

化学结构图

108-83-8
SMILES: CC(C)CC(=O)CC(C)C

化学属性

Mol. Formula(CH3)2CHCH2COCH2CH(CH3)2
Mol. Weight142
Density0.808
Autoignition Point745 °F
Refractive index1.4110 to 1.4160
Vapor Density4.9 (vs air)
Boiling Point165-170
Vapor Pressure1.7 mmHg ( 20 °C)
Flash Point50°C(lit.)
TSCAYes
Melting Point-46.4°C
Solubility不溶于水，可混溶于乙醇、乙醚等多数有机溶剂。

别名和识别编码

Chemical Name2,6-Dimethyl-4-Heptanone
CAS Number108-83-8
Synonym (iso-C4H9)2CO 2,6-Dimethyl-4-heptanone {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} dibutylketone(non-specificname) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} di-isobutyl ketone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} VALERONE {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {uni_hamburg} Isovalerone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {Chemicalbook} ISOBUTYL KETONE {} {} {} {} {} {} {} {} {} {} {} {}
EC Number203-620-1
Beilstein Registry Number1743163
MDL NumberMFCD00008940
PubChem Substance ID87567369
Chemical Name Translation2,6-二甲基-4-庚酮
Reaxys-RN1743163
Wiswesser Line Notation1Y1&1V1Y1&1
LabNetwork Molecule IDLN00241449
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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
  • {uni_hamburg} no charge; ketone; 1fragment
  • {SNA} Alphabetical Listings, C-D, Flavors and Fragrances
  • Intermediates & Fine Chemicals
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Aliphatics
  • Pharmaceuticals

产品应用

  • 用作有机溶剂，也可用于有机合成。能溶解乙酸纤维素、硝化纤维素、聚苯乙烯、乙烯树脂、蜡、清漆、天然树脂和生胶等。由于沸点高，蒸发速度慢，可用作硝基喷漆、乙烯树脂涂料以及其他合成树脂涂料的溶剂。也是某些药物、杀虫剂的中间体。

相关文献及参考

  • Short: III/35E
  • Short: II/27B
  • Beilstein:1,710
  • Altschul, S., et al.: J. Mol. Biol., 215, 403 (1990),
  • Bette, S., et al.: Insect. Biochem. Mol. Biol., 32, 241 (2002),
  • Briand, L., et al.: Eur. J. Biochem., 268, 752 (2001),

安全信息

Signal word Danger Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R10 Flammable 易燃
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R37 Irritating to respiratory system 刺激呼吸道
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。
  • 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。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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+P310+P331
  • P303+P361+P353
  • P304+P340
  • P304+P340+P312
  • P305+P351+P338
  • 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。
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H318 Causes serious eye damage 严重伤害眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMJ5775000
Packing GroupIII
UN Number 1157 UN1224
Hazard Codes 3
Hazard Class3
Storage condition Flammables area
Warnings 危化品目录(2015) 危险化学品 
TYPE OF TEST            : TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Human
DOSE/DURATION           : 50 ppm
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - effect, not otherwise specified
   Behavioral - headache
   Gastrointestinal - nausea or vomiting
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 1,23,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 5750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 1,23,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 16 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NPIRI* Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. (National
   Assoc. of Printing Ink Research Institute, Francis McDonald Sinclair
   Memorial Laboratory, Lehigh Univ., Bethlehem, PA 18015)
   Volume(issue)/page/year: 1,23,1974

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose

其他信息

  • 用途三:该品主要用作有机溶剂，也可用于有机合成。能溶解乙酸纤维素、硝化纤维素、聚苯乙烯、乙烯树脂、蜡、清漆、天然树脂和生胶等。由于沸点高，蒸发速度慢，可用作硝基喷漆、乙烯树脂涂料以及其他合成树脂涂料的溶剂。也是某些药物、杀虫剂的中间体。
  • 可燃性危险特性:易燃
  • 储运特性:库房通风低温干燥; 与氧化剂分开储运
  • 毒性分级:中毒
  • TCI Shanghai:2,6-二甲基-4-庚酮 2,6-Dimethyl-4-heptanone,>;90.0%(GC)(108-83-8)
  • 职业标准:TLV-TWA 150 毫克/立方米; STEL 225 毫克/立方米
  • 二异丁基酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0733 2,6-二甲基-4-庚酮 2,6-Dimethyl-4-heptanone 25ML 104元 2014/06/02 D0733 2,6-二甲基-4-庚酮 2,6-Dimethyl-4-heptanone 500ML 253元 2010/06/21 149440025 二异丁基酮 2,6-Dimethyl-4-heptanone 80%, remainder mainly 4,6-dimethyl-2-heptanone, tech. 2.5 LT 1088元
  • {Chemi
  • 图谱信息:二异丁基酮(108-83-8)核磁图( 1 HNMR) 二异丁基酮(108-83-8)红外图谱(IR2) 二异丁基酮(108-83-8)红外图谱(IR1) 二异丁基酮(108-83-8)质谱(MS) 二异丁基酮(108-83-8)核磁图( 13 CNMR)
  • 类别:易燃液体
  • 爆炸物危险特性:蒸气与空气混合可爆
  • MSDS 信息:二异丁基甲酮(108-83-8).msds
  • 能与乙醇、乙醚等多数有机溶剂混溶。水中溶解度:0.05 g/100 ml。有薄荷味。
  • 参考质量标准:FAO/WHO，1998 含量(GT-10-4) ≥80.0% 折射率(n D 20 ) 1.410—1.416 相对密度(d 25 25 ) 0.806
  • 下游产品:5-氯-1H-吲唑-3-乙酸
  • 海关编码:29141990
  • 急性毒性:口服-大鼠 LD50: 5750 毫克/公斤; 口服-小鼠 LD50: 1416 毫克/公斤
  • 用途二:食品用香料。主要用于配制菠萝蜜、香蕉、橙汁、鸡蛋果、热带水果、朗姆酒和康酿克酒所用香精。
  • 蒸气压:1.7 mm Hg ( 20 °C)
  • 毒性:GRAS(FEMA)。
  • 方法一:由丙酮经酸催化缩合生成福尔酮，再加氢还原成二异丁基酮。
  • 刺激数据:皮肤-兔子 10 毫克/24小时 轻度; 眼睛-兔子 500 毫克 轻度
  • 灭火剂:干粉, 二氧化碳, 砂土, 泡沫
  • 用途一:用作有机合成中间体
  • 上游原料:佛尔酮(二异亚丙基丙酮)
  • {Chemic
  • 使用限量:FEMA(mg/kg)：焙烤制品5.0；冷饮2.0；软糖5.0；布丁类1.1；无醇饮料0.8；含醇饮料1.1。
  • FEMA
  • Alfa Aesar:2,6-二甲基-4-庚酮,mixtureofisomers,98%,ca2:1with4,6-dimethyl-2-heptanone 2,6-Dimethyl-4-heptanone, mixture of isomers, 97%, ca 2:1 with 4,6-dimethyl-2-heptanone(108-83-8)
  • Acros Organics:2,6-二甲基-4-庚酮(二异丁基酮) 2,6-Dimethyl-4-heptanone, remainder mainly 4,6-dimethyl-2-heptanone, tech., 80%(108-83-8)

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. 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. C9 - 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. C7 to C8

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