Ethyl isobutyrate 异丁酸乙酯

CAS 97-62-1 MFCD00009165

化学结构图

97-62-1
SMILES: CCOC(=O)C(C)C

化学属性

Mol. FormulaC6 H12 O2
Mol. Weight116.16
Refractive index1.3850 to 1.3890
Boiling Point
Density0.865
Flash Point15°C(lit.)
TSCAYes
Melting PointNo Data Available
Vapor Density4.01 (vs air)
Vapor Pressure40 mmHg ( 33.8 °C)
Solubility微溶于水，溶于乙醇、乙醚等。

别名和识别编码

Chemical NameEthyl isobutyrate
CAS Number97-62-1
PubChem Substance ID7342
EC Number202-595-4
Beilstein Registry Number773846
MDL NumberMFCD00009165
Reaxys-RN773846
Merck Number3814
Synonym 2-Methylpropansäureethylester 2-Methylpropionic acid ethyl ester 2-methyl-propanoic acid ethyl ester 2-methyl-propionicaciethylester 2-甲基丙酸乙酯 C6H12O2 (isobutyric acid ethyl ester) ETHYL ISOBUTANOATE ETHYL ISOBUTYRATE ETHYL ISOBUTYRATE 98+% NATURAL FCC Ethyl #niso-butyrate Ethyl 2,2-dimethylacetate Ethyl Isobutyrate {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
Chemical Name Translation异丁酸乙酯
Wiswesser Line Notation2OVY1&1
LabNetwork Molecule IDLN00220499
InChIInChI=1S/C6H12O2/c1-4-8-6(7)5(2)3/h5H,4H2,1-3H3
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

  • {SNA} A-F, A-L, Alcoholic & Nonalcoholic Beverages, Analytical Standards, Animal Products, Apple, Apricot, Beer, Ester, Flavor and Fra
  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香料
  • {S
  • {SNA} Alphabetical Listings,
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

相关文献及参考

  • Merck 14 ,3814
  • Beil. 2 ,IV,846
  • Aldrich MSDS 1 , 915:B / Arctander , 1179 / Corp MSDS 1 (1), 1627:C / FT-IR 1 (1), 605:B / FT-IR 2 (1), 959:C / FT-NMR 1 (1), 911:C / Fenaroli , 241 / NMR-Reference 2 (1), 511:C / RegBook 79 (1), 687:L / RegBook 1 (1), 687:L / Sax 6 , 1364 / Structure Index 1 , 104:B:2 / Vapor Phase 3 , 616:B
  • Short: II/27B Title: Diamagnetic Susceptibility of Organic Compounds, Oils, Paraffins and Polyethylenes Author: Kumar, M.; Gupta, R. Editor: Gupta, Radha Raman Source: Landolt-Börnstein, New Series Volume: II/27B Year: 2008 Keyword: diamagnetic susceptibility; organic compounds ISBN: 978-3-540-44359-9 (print) ISBN: 978-3-540-45860-9 (online) Internet Resource: doi:10.1007/978-3-540-45860-9 RefComment: VIII, 503 p. With CD-ROM., Hardcover RefComment: Written for: Scientists and researchers in the fields of physics, chemistry, materials science RefComment: Supplement and Revised Editon to II/16 Abstract: The volume II/27 has been divided into three subvolumes according to the classes of compounds: Subvolume A: Diamagnetic susceptibility and magnetic anisotropy of inorganic and organometallic compounds; Subvolume B: Diamagnetic susceptibility of organic compounds, oils, paraffins and polyethylenes; Subvolume C: Diamagnetic susceptibility and magnetic anisotropy of organic compounds. The data presented in this volume are based on the literature survey of the chemical abstracts up to 2005. The calculated values of diamagnetic susceptibility of organic compounds in the present subvolume II/27B are presented along with their experimental values. They have been calculated with the use of structural parameters in structural formula by using different theoretical methods available in the literature.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Edi

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • 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
Hazard Codes 3 F;Xi
RTECSNQ4675000
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。
  • 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
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
  • 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；
  • S33 Take precautionary measures against static discharges 对静电采取预防措施；
  • 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；
  • S37 Wear suitable gloves 戴适当手套；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S9 Keep container in a well-ventilated place 保持容器在通风良好的场所；
Risk Statements
  • R11 Highly flammable 非常易燃
  • 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 2385 UN2385
Packing GroupII
Hazard Class3
Storage condition +4°C 4 4℃ Flammables area
Warnings 危化品目录(2015) 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 800 mg/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: 16,741,1978

Restrict 危险品

其他信息

  • 毒性分级:中毒
  • Acros Organics:异丁酸乙酯 Ethyl isobutyrate, 99%(97-62-1)
  • 用途一:用作食品香精原料，也可用于香烟、日化产品或其
  • 用途三:GB 2760—96规定为允许使用的食用香料。主要用于配制奶油及草莓、樱桃等所有水果型香精。
  • 图谱信息:异丁酸乙酯(97-62-1)红外图谱(IR2) 异丁酸乙酯(97-62-1)质谱(MS) 异丁酸乙酯(97-62-1)核磁图( 13 CNMR) 异丁酸乙酯(97-62-1)红外图谱(IR1)
  • MSDS 信息:异丁酸乙酯(97-62-1).msds
  • 含量分析:按酯测定法(OT-18)中方法一测定。所取试样量为1
  • 下游产品:3-异丙基-5-氨基异噁唑 --> 2,6-二甲基-3,5-庚二酮
  • 灭火剂:干粉、干砂、二氧化碳、泡沫
  • MOL 文件:97-62-1.mol
  • 上游原料:异丁酸
  • 参考质量标准:FCC，1996 FAO/WHO，1997 含量 ≥98.0% 折射率(n D 25 ) 1.385~1.391 相对密度(d 25 25 ) 0.862~0.868 酸值(OT-4) ≤1.0 醇中溶解度 lml溶于1mL95%乙醇
  • 用途二:用作溶剂，也用于有机合成
  • 类别:易燃液体
  • 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） 异丁酸乙酯 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
  • Sigma Aldrich:97-62-1(sigmaaldrich)
  • FEMA:2428
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 中度
  • 方法二:由异丁酸和无水乙醇酯化而得。将异丁酸和无水乙醇混匀后，小心加入浓硫酸，加热回流14h后，依次用水、饱和碳酸氢钠溶液、水洗涤，经无水硫酸镁干燥后，进行蒸馏，收集109-111℃馏分，得2-甲基丙酸乙酯，收率69%。
  • 外观性质:无色易挥发液体，有水果香味。
  • 毒性:GRAS(FEMA)。 LD 50 800mg/kg(小鼠，皮下)。
  • 蒸气密度:4.01 (vs air)
  • 用途四:用于有机合成和香料工业，也可用作溶剂。
  • 使用限量:FEMA(mg/kg)：软饮料10；冷饮25；糖果73；焙烤食品200；布丁类6.0；裱花层1.5。 适度为限(FDA§172．515，2000)。
  • 可燃性危险特性:遇明火、高温、氧化剂易燃; 燃烧产生刺激烟雾
  • 用途一:用作食品香精原料，也可用于香烟、日化产品或其他产品的香原料，同时也是一种优良
  • 含量分析:按酯测定法(OT-18)中方法一测定。所取试样量为1.
  • 异丁酸乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0105 异丁酸乙酯 Ethyl Isobutyrate 500ML 585元 2014/06/02 I0105 异丁酸乙酯 Ethyl Isobutyrate 25ML 230元 2010/06/21 310515000 异丁酸乙酯 Ethyl isobutyrate 99% 500 ML 624元
  • 蒸气压:40 mm Hg ( 33.8 °C)
  • 方法一:由异丁
  • Alfa Aesar:异丁酸乙酯,98% Ethyl isobutyrate, 98%(97-62-1)
  • TCI Shanghai:异丁酸乙酯 Ethyl Isobutyrate,>;98.0%(GC)(97-62-1)

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. Kosher Certified Products - Flavors and Fragrances
  4. E-H - Kosher Certified Products
  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. Esters - 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. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters
  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. Esters
  6. C2 to C5

相关产品推荐