3-Hexanone 3-己酮

CAS 589-38-8 MFCD00009402

化学结构图

589-38-8
SMILES: CCCC(=O)CC

化学属性

Mol. FormulaC6H12O
Mol. Weight100.16
Refractive index1.3980 to 1.4010
Boiling Point123 °C(lit.)
Density0.815 g/mL at 25 °C(lit.)
Flash Point14°C(lit.)
TSCAYes
Melting Point-55°
Solubility微溶于水,溶于丙酮,可混溶于乙醇、乙醚。

别名和识别编码

Chemical Name3-Hexanone
Synonym 3-HEXANONE 3-HEXANONE 97+% 3-HEXANONE 96+% 3-HEXANONE OEKANAL 3-HEXANONE, NATURAL 3-Hexanon 3-Hexanone,98% 3-Oxohexane 3-hexanone 3-oxohexane 3-己酮 3-己酮(乙基丙酮) 3-己酮,98% Aethylpropylketon ETHYL N-PROPYL KETONE ETHYL PROPYL KETONE Ethyl n-propyl ketone Ethyl propyl ketone Ethyl-propylketon Ethylpropylketon FEMA 3290 Hexan-3-one Hexanone, 3-: (Ethyl propyl ketone) Hexanone-(3) METHYLPROPYLKETONE(SG) ethyl propyl ketone hexan-3-one hexanone,3-hexanone n-C3H7COC2H5 乙基丙基甲酮 乙基丙基酮 乙基正丙基甲酮 甲基丙基(甲)酮
MDL NumberMFCD00009402
CAS Number589-38-8
PubChem Substance ID11509
EC Number209-645-4
Beilstein Registry Number1(4)3301
Reaxys-RN1738025
Chemical Name Translation3-己酮
Wiswesser Line Notation2V3
LabNetwork Molecule IDLN00192913
InChIInChI=1S/C6H12O/c1-3-5-6(7)4-2/h3-5H2,1-2H3
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
  • {SNA} Alphabetical Listings, Flavors and Fragrances, G-H
  • {SNA} Building Blocks, C3 to C6, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香

产品应用

  • 是有机合成重要原料,也用于食品工业。

相关文献及参考

  • Short: II/27B
  • Beilstein:1(4)3301
  • Short: III/35E

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • 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
RTECSMP1575000
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。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施,防止静电放电。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P303+P361+P353
  • P305+P351+P338
  • P332+P313
  • P337+P313
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Packing GroupII
UN Number UN 1224 3/PG 3 UN1224 1224
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
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所;
  • S16 Keep away from sources of ignition - No smoking 远离火源,禁止吸烟;
  • 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;
  • S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Hazard Codes F;Xi Xi,F Xi
Hazard Class3
Storage condition Flammables area
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           : 3360 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Peripheral Nerve and Sensation - flaccid paralysis without anesthesia
   (usually neuromuscular blockage)
REFERENCE :
   BDKS** "Studien uber die Pharmakologie des Pinakolins und einiger seiner
   Derivate mit besonderer Berucksichtigung der Kreislaufwirkung,
   Dissertation," Bang, L., Pharmakologischen Abteilung des Karolinischen
   Instituts, Stockholm, Sweden, 1934  Volume(issue)/page/year: -,-,1934

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 3170 uL/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   28,313,1974

TYPE OF TEST            : LCLo - Lowest published lethal concentration
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4000 ppm/4H
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume

Restrict 危险品

其他信息

  • Sigma Aldrich:589-38-8(sigmaaldrich)
  • 毒性分级:中毒
  • 图谱信息:3-己酮(589-38-8)质谱(MS) 3-己酮(589-38-8)红外图谱(IR1) 3-己酮(589-38-8)核磁图( 1 HNMR) 3-己酮(589-38-8)红外图谱(IR2) 3-己酮(589-38-8)Raman光谱 3-己酮(589-38-8)核磁图( 13 CNMR)
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 类别:较易燃液体
  • 用途一:食品用香料。主要用于配制葡萄酒等果酒香精及肉类香精。
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • MSDS 信息:3-己酮(589-38-8).msds
  • 毒性:GRAS(FEMA)。
  • 上游原料:PT-C --> 2-乙基呋喃
  • 微溶于水,溶于丙酮、乙醇和乙醚。
  • FEMA:3290
  • 使用限量:FEMA:软饮料、糖果、焙烤制。凯布丁类、肉和肉制品、汤料、乳制品、谷类制品,均20.0mg/kg。
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 轻度; 眼睛- 兔子 500 毫克/ 24小时 轻度
  • 用途二:是有机合成重要原料,也用于食品工业。
  • TCI Shanghai:3-己酮 3-Hexanone,>;98.0%(GC)(589-38-8)
  • 参考质量标准:FAO/WHO,1998 含量(GT-10-4) ≥97.1% 折射率(n D 20 ) 1.307~1.403 相对密度(d 25 25 )0.8I 2~0.818
  • 3-己酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0115 3-己酮 3-Hexanone 25ML 584元 2014/06/02 H0115 3-己酮 3-Hexanone 5ML 202元 2010/06/21 146900100 3-己酮 3-Hexanone 98% 10 ML 279元
  • 急性毒性:口服- 大鼠 LD50: 3360 毫克/ 公斤
  • MOL 文件:589-38-8.mol
  • 外观性质:无色液体。
  • Alfa Aesar:3-己酮,98% 3-Hexanone, 98%(589-38-8)
  • Acros Organics:3-己酮 3-Hexanone, 98%(589-38-8)
  • 方法一:由3-己醇在氧化磷酸化Ni—Zn催化剂存在下脱氢而得。也可由2-乙基呋喃氢化而得。或由β-呋喃基丙酸在250-300℃下通过5%Pt—C催化利而得。
  • 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