Hexanal 己醛

CAS 66-25-1 MFCD00007027

化学结构图

66-25-1
SMILES: CCCCCC=O

化学属性

Mol. FormulaCH3(CH2)4CHO
Mol. Weight100
Refractive index1.4020 to 1.4050
Vapor Density>;1 (vs air)
Boiling Point130-131
Vapor Pressure10 mmHg ( 20 °C)
Density0.815
Flash Point32°C(lit.)
TSCAYes
Melting Point20
Solubility4.8 G/L (20 ºC)
Stability对空气敏感

别名和识别编码

Chemical NameHexanal
Synonym N-HEXALDEHYDE Hexanaldehyde n-Capronaldehyde CAPROIC ALDEHYDE CAPROALDEHYDE n-Hexylaldehyde hexaldehyde femanumber2557 1-己醛 六碳醛 己醛 caproaldehyde n-Hexaldehyde 1-pentanecarbaldehyde Caproic aldehyde 1-Hexanal N-HEXYLALDEHYDE Aldehyde C-6 N-CAPRONALDEHYDE 1-HEXYLALDEHYDE 正己醛 Kapronaldehyd hexanal 已醛 己醛 1-HEXANAL n-Caproaldehyde 布他西丁 n-Hexanal Capronaldehyd caproic aldehyde 正已醛 1-hexanal 六碳醛 Aldehyde C6 n-Hexyl aldehyde N-HEXANAL N-C6 ALDEHYDE capronaldehyde Caproaldehyde; Hexaldehyde Hexylaldehyde hexan-1-al FEMA 2557 butacetin ALDEHYDE C-6 Capronaldehyde n-Caproylaldehyde HEXANAL Caproaldehyde HEXYL ALDEHYDE HEXALDEHYDE CAPRONALDEHYDE 己醛, 98% 1-己醛
MDL NumberMFCD00007027
CAS Number66-25-1
PubChem Substance ID87570577
EC Number200-624-5
Beilstein Registry Number506198
Merck Number1760
Reaxys-RN506198
Chemical Name Translation己醛
Wiswesser Line NotationVH5
LabNetwork Molecule IDLN00195682
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分类

  • {SNA} Aldehydes,
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香
  • {SNA} Aldehydes, Building Blocks, C1 to C6, Carbonyl Compounds, Carthamus tinctorius (Safflower oil), Chemical Synthesis, Lavandula angustifolia (Lavendar tea), Nutrition Research, Ocimum basilicum (Basil), Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Zingiber officinale (Ginger), 细胞生物学
  • {SNA} Alphabet
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, E - H, E-H, Flavors and Fragrances, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings,

产品应用

  • 用于Wittig和Aldol反应。还用作气相色谱分析试剂。

相关文献及参考

  • Short: II/27B
  • Merck: 14,1760 Beilstein:1(4)3296
  • Merck: 14,1760
  • Short: III/38B

安全信息

GHS Symbol
WGK Germany1
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSMN7175000
Signal word
Packing GroupIII
UN Number
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
Safety Statements
Storage condition 充氩或充氮密封 储存温度2-8℃,充氩保存 2-8°C Air Sensitive
Precautionary statements
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • 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.....
  • 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。
  • P332+P313
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P305+P351+P338+P337+P313
  • 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
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P302+P352
  • P303+P361+P353
Hazard Codes Xi
Hazard Class3
Warnings 危化品目录(2015)
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4890 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.
   Volume(issue)/page/year: 10,61,1954

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 3700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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(10),25,1988

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 8292 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   YKGKAM Yukagaku.  Oil Chemistry.  (Nippon Yukagaku Kyokai, c/o Yushi Kogyo
   Kaikan, 3-13-11 Nihonbashi, Chuo-ku, Tokyo 103 Japan)  V.5-    1956-
   Volume(issue)/page/year: 26,169,1977

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 value
REFERENCE :
   AMIHBC AMA Archives of Industrial Hygiene and Occupational Medicine.
   (Chicago, IL)  V.2-10, 1950-54. For publisher information, see AEHLAU.

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - rat Liver
DOSE/DURATION           : 30 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 323,121,1994

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - hamster Lung
DOSE/DURATION           : 3 mmol/L
REFERENCE :
   MUTAEX Mutagenesis. (Oxford Univ. Press, Pinkhill House, Southfield Road,
   Eynsham, Oxford OX8 1JJ, UK) V.1- 1986-  Volume(issue)/page/year: 4,277,1989

Restrict 危险品

其他信息

  • Alfa Aesar:己醛,98% Hexanal, 98%(66-25-1)
  • MSDS 信息:己醛(66-25-1).msds
  • 图谱信息:正己醛(66-25-1)核磁图( 13 CNMR) 正己醛(66-25-1)红外图谱(IR2) 正己醛(66-25-1)质谱(MS) 正己醛(66-25-1)红外图谱(IR1)
  • 蒸气压:10 mm Hg ( 20 °C)
  • 毒性分级:低毒
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 参考质量标准:FCC,1996;FAO/WHO,1997 含量 ≥97.0% 折射率(n D 20 ) 1.402~1.407 相对密度(d 25 25 ) 0.808~0.817 酸值(OT-4) ≤10.0
  • 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) 己醛 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
  • 外观性质:无色液体,有刺激性气味。
  • 毒性:GRAS(FEMA)。 LD 50 4890 mg/kg(大鼠,经口)。
  • MOL 文件:66-25-1.mol
  • 类别:易燃液体
  • TCI Shanghai:己醛 Hexanal,>;95.0%(GC)(66-25-1)
  • 含量分析:按GT-10-4中用极性柱进行气相色谱分析。
  • 方法一:由己酸钙和甲酸反应而得。
  • 上游原料:原甲酸三乙酯 --> 己酸 --> 正己醇 --> 二乙醇
  • Acros Organics:己醛 Hexanal, 96%(66-25-1)
  • 下游产品:己酸 --> 萎蔫酸 --> 5-丁基吡啶-2-甲腈 --> 3,5-二羟基戊苯 --> 反式-2-辛烯-1-醇 --> 2-已烯醛 --> 丁位十一内酯
  • 急性毒性:口服- 大鼠 LD50: 4890 毫克/ 公斤; 口服- 小鼠 LD50: 8292 毫克/ 公斤
  • Sigma Aldrich:66-25-1(sigmaaldrich)
  • 蒸气密度:>;1 (vs air)
  • 正己醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 A11560603 正己醛 250ml 829元 2011/08/23 K2152002 正己醛(+4℃) 250ml 663元 2011/04/16 H0133 己醛 Hexanal 25ML 20
  • 用途一:GB 2760一96规定为暂时允许使用的食用香料。主要用于配制苹果和番茄香精。
  • 用途二:用于合成香料和制取己酸。还用作气相色谱分析试剂。
  • 方法二:由正已醇氧化制得。在实验室制备时,可由1-溴戊烷与镁反应后再与原甲酸乙酯反应得至二乙醇缩已醛。然后将其与硫酸一起蒸馏,在水解同时蒸出游离的正已醛。
  • 易溶于乙醇、乙醚,溶于丙酮和苯,微溶于水。有醛的气味,有自动氧化及聚合作用,在少量酸存在时更显著。
  • 敏感性:Air Sensitive
  • Hazard Note:Irritant
  • FEMA:2557
  • 使用限量:FEMA(mg/kg):软饮料1.3;冷饮2.8;糖果3.6;焙烤食品4.2;布丁类2.0~2.5;胶姆
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 轻度; 眼睛- 兔子 100 毫克/ 24小时 轻度
  • F:13
  • 可燃性危险特性:遇明火、高温、氧化剂较易燃; 燃烧产生刺激烟雾

系列性分类


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