Propyl butyrate 丁酸丙酯

CAS 105-66-8 MFCD00009396

化学结构图

105-66-8
SMILES:

化学属性

Mol. FormulaC7H14O2
Mol. Weight130
Refractive index1.3980 to 1.4010
Boiling Point142-143
Density0.873
Flash Point37°C(lit.)
Melting Point-95°C
Solubility微溶于水,溶于醇、醚。

别名和识别编码

Chemical NamePropyl butyrate
Synonym 1-Propyl butyrate 1-propyl butanoate 1-propylbutanoate 1-propylbutyrate BUTYRIC ACID PROPYL ESTER Butanoic acid, propyl ester Butanoicacid,propylester Buttersäure-propylester Buttersäurepropylester Butyric acid, propyl ester Butyric acid-propyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number105-66-8
PubChem Substance ID87563763
EC Number203-320-0
Beilstein Registry Number1745552
MDL NumberMFCD00009396
Reaxys-RN1745552
Merck Number7846
Chemical Name Translation丁酸丙酯
Wiswesser Line Notation3VO3
LabNetwork Molecule IDLN00224299
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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} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {SNA} Alphabetical Listings, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products,
  • Biochemicals and Reagents, Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Fatty Acyls, Fatty Esters, Lipids, Organic Building Blocks, Propyl Esters
  • {
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Halal Certified Produ

产品应用

  • 溶剂。有机合成。

相关文献及参考

  • Short: II/27B
  • Short: III/38B
  • Merck:7846 Beilstein:2(4)788
  • Merck:7846

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
Hazard Codes 3
RTECSET6200000
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+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。
  • 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
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • 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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
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
UN Number 3272
Packing GroupIII
Hazard Class3
Storage condition 密封阴凉保存。 Flammables area
Warnings 危化品目录(2015) 危险化学品
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 15 gm/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Gastrointestinal - hypermotility, diarrhea
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 5729 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   IMSUAI Industrial Medicine and Surgery.  (Northbrook, IL)  V.18-42, 1949-73.
    For publisher information, see IOHSA5.  Volume(issue)/page/year: 41,31,1972

其他信息

  • 毒性分级:低毒
  • 参考质量标准:FAO/WHO,1997 含量(GT-10-4) ≥95.0% 折射率(n D 20 ) 1.395~1.405 相对密度(d 25 25 ) 0.866~0.875
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 丁酸丙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B0764 丁酸丙酯 Propyl Butyrate 25ML 104元 2014/06/02 B0764 丁酸丙酯 Propyl Butyrate 500ML 662元 2010/06/21 393450250 丁酸丙酯 Propyl butyrate 98+% 25 ML 224元
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 外观性质:无色液体,有水果香味。
  • 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) 丁酸丙酯 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:2934
  • Acros Organics:丁酸丙酯 Propylbutyrate,98+%(105-66-8)
  • 类别:易燃液体
  • 制备方法:由丙醇和丁酸在p-甲基苯磺酸存在下,于苯溶液中沸腾制得。在装有油水分离器、温度计的500ml圆底烧瓶中,加入1mol丁酸和1.2mol丙醇及 5克固体超强酸催化剂,100ml二氯甲烷,加热至回流反应至油水分离器中无水分出现为止,分层分离,水层用苯萃取二次,合并有机层,水洗后用5%Na2CO3中和,无水硫酸钠干燥,先蒸去苯,再减压分馏得丁酸丙酯成品。
  • MOL 文件:105-66-8.mol
  • 急性毒性:口服- 大鼠 LD50: 15000 毫克/ 公斤
  • 毒性:GRAS(FEMA)。
  • 图谱信息:丁酸丙酯(105-66-8)质谱(MS) 丁酸丙酯(105-66-8)核磁图( 13 CNMR) 丁酸丙酯(105-66-8)核磁图( 1 HNMR) 丁酸丙酯(105-66-8)红外图谱(IR2) 丁酸丙酯(105-66-8)红外图谱(IR1) 丁酸丙酯(105-66-8)Raman光谱
  • MSDS 信息:丁酸丙酯(105-66-8).msds
  • 使用限量:FEMA(mg/kg):软饮料6.8;冷饮4.6;糖果24;焙烤制品16.0; FDA(§172.515,2000):适度为限。
  • Sigma Aldrich:105-66-8(sigmaaldrich)
  • TCI Shanghai:丁酸丙酯 Propyl Butyrate,>;98.0%(GC)(105-66-8)
  • 有水果香。能与乙醇、乙醚混溶,微溶于水。易燃,有刺激性。
  • 香精香料:丁酸丙酯又称正丁酸正丙酯、丁酸正丙酯,是一种人工合成香料,主要用于食用香精及日化香精的调配。 本品常温下为无色液体,似菠萝和杏仁的香气,甜的香蕉和菠萝的水果风味,沸点142~143℃,密度D4200.8722,折光率nD201.3995,几乎不溶于水与乙醇、乙醚可混溶。
  • 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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