Butyl Isovalerate 异戊酸丁酯

CAS 109-19-3 MFCD00048775

化学结构图

109-19-3
SMILES: CCCCOC(=O)CC(C)C

化学属性

Mol. FormulaC9H18O2
Mol. Weight158
Refractive index1.4070 to 1.4110
Boiling Point176
Density0.857 g/mL at 25 °C
Flash Point53°C(lit.)
Appearance 天然品存在于一些精油中。 无色至淡黄色液体,呈香蕉香气和蓝干酪香味。沸点175℃。不溶于水,溶于乙醇和大多数有机溶剂和非挥发性油,难溶于丙二醇。

别名和识别编码

Chemical NameButyl Isovalerate
CAS Number109-19-3
MDL NumberMFCD00048775
Synonym 1-butylisovalerate 3-Methylbutanoicacidbutylester 3-methyl-butanoicacibutylester 3-methyl-butyricacidbutylester 3-甲基丁酸丁酯 BUTYL ISOVALERATE 98+% FCC BUTYL ISOVALERATE STANDARD FOR GC BUTYL-3-METHYLBUTANOATE Butanoic acid, 3-methyl-, butyl ester Butyl 3-methylbutanoate Butyl 3-methylbutyrate Butyl-3-methylbutanoat Butylisopentanoat ISOVALERIC ACID BUTYL ESTER Isovaleriansäure-n-butylester Isovaleric acid butyl ester N-BUTYL ISOVALERATE butyl isovalerate n-Butyl 3-methylbutanoate n-Butyl isopentanoate 异戊酸丁酯
PubChem Substance ID7981
EC Number203-654-7
Beilstein Registry Number135726915
Chemical Name Translation异戊酸丁酯
Wiswesser Line Notation4OV1Y1&1
LabNetwork Molecule IDLN00220974
InChIInChI=1S/C9H18O2/c1-4-5-6-11-9(10)7-8(2)3/h8H,4-7H2,1-3H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Certified Natural Products, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products,

相关文献及参考

  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Che
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/38B Year: 1996 Keyword: organic compounds; refractive index; liquids ISBN: 3-540-60596-7 ISBN: 978-3-540-60596-6 Internet Resource: DOI:10.1007/b85533 RefComment: VII, 4210 pages, Hardcover Abstract: Volume III/38 Optical Constants provides critically evaluated data on refractive indices of inorganic and organic liquids and their wavelength dependence (dispension). Part A contains the inorganic, organometallic, and organononmetallic liquids, and the binary liquid mixtures (about 900 pure substances and their mixtures). Part B contains data of more than 7600 organic liquids.
  • Short: IV/16 Title: Surface tension of pure liquids and binary mixtures Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/16 Year: 1997 Keyword: organic compounds; surface tension; liquids; mixtures ISBN: 3-540-63276-X ISBN: 978-3-540-63276-4 Internet Resource: DOI:10.1007/b60566 RefComment: VII, 439 pages.
  • Short: IV/18B Title: Viscosity of Pure Organic Liquids and Binary Liquid Mixtures: Pure Organic Liquids Author: Wohlfarth, Ch.; Wohlfarth, B. Editor: Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: IV/18B Year: 2001 Keyword: organic compounds; viscosity; liquids; mixtures Internet Resource: DOI:10.1007/b68240 RefComment: VII, 409 pages.
  • Short: IV/8H Title: Densities of Esters and Ethers Author: Frenkel, M.; Hong, X.; Wilhoit, R.C.; Hall, K.R. Editor: Hall, K.R.; Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8H Year: 2001 Keyword: organic compounds; density; liquids ISBN: 3-540-41035-X ISBN: 978-3-540-41035-5 Internet Resource: DOI:10.1007/b76770 RefComment: XI, 484 pages, with CD-ROM, Hardcover

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • 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
  • H226 Flammable liquid and vapour 易燃液体和蒸气
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSNY1502000
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
  • P332+P313
  • P370+P378
  • P403+P235
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Codes Xi
Safety Statements
  • 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;
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Packing GroupIII
UN Number 1993 3272
Hazard Class3
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/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: 18,659,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/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: 18,659,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 8230 mg/kg
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - corneal damage
   Cardiac - pulse rate
   Lungs, Thorax, or Respiration - dyspnea
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

  • 方法一:由异戊酸和正丁醇在硫酸存在下,于苯介质中长时间沸腾酯化而成。
  • Sigma Aldrich:109-19-3(sigmaaldrich)
  • 图谱信息:异戊酸丁酯(109-19-3)质谱(MS) 异戊酸丁酯(109-19-3)红外图谱(IR1) 异戊酸丁酯(109-19-3)Raman光谱 异戊酸丁酯(109-19-3)核磁图( 13 CNMR) 异戊酸丁酯(109-19-3)红外图谱(IR2)
  • 上游原料:正丁醇
  • MOL 文件:109-19-3.mol
  • FEMA:2218
  • 用途一:GB 2760一96规定为允许使用的食用香料。主要用于配制乳品、干酪和香蕉型香精。
  • 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) 异戊酸丁酯 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

系列性分类


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