Amyl Formate 甲酸戊酯

CAS 638-49-3 MFCD00040440

化学结构图

638-49-3
SMILES: CCCCCOC=O

化学属性

Mol. FormulaC6H12O2
Mol. Weight116.16
Refractive index1.3980 to 1.4000
Boiling Point130°C
Density0.884 g/mL at 25 °C(lit.)
Flash Point32°C(lit.)
Solubility微溶于水,溶于乙醇、乙醚。

别名和识别编码

Chemical NameAmyl Formate
Synonym n-Pentyl methanoate {uni_hamburg} 甲酸戊酯、蚁酸戊酯 Pentyl formate formic acid pentyl ester Amylformiat m-Pentyl formate Formic acid 3-amyl ester formicacidpentylester Formicacid,pentylester FORMIC ACID N-AMYL ESTER 95+% N-AMYL FORMATE AMYL FORMATE 95+% Formic acid, pentyl ester FEMA 2068 N-amylformate 3-戊基甲酸盐 n-Amyl formate Amyl formate Pentylformiat Pentyl methanoate 1-pentylformate FORMIO ACID PENTYL ESTER Ameisensäure-pentylester m-pentylformate Amylformiate 蚁酸戊酯 Formic acid n-pentyl ester 甲酸正戊酯 amylformates 甲酸戊酯 n-Pentyl formate FORMIC ACID AMYL ESTER Ameisensäurepentylester 3-Pentanol formate 3-戊基甲酸盐,97% 1-pentyl formate AMYL FORMATE n-Amylformiate PENTYL FORMATE C6H12O2 (formic acid pentyl ester) N-PENTYL FORMATE Pentylmethanoate FORMIC ACID N-AMYL ESTER Ameisensäureamylester
MDL NumberMFCD00040440
CAS Number638-49-3
PubChem Substance ID87569854
EC Number211-340-6
Reaxys-RN1743363
Beilstein Registry Number2(4)30
Chemical Name Translation甲酸戊酯
Wiswesser Line NotationVHO5
LabNetwork Molecule IDLN00239638
InChIInChI=1S/C6H12O2/c1-2-3-4-5-8-6-7/h6H,2-5H2,1H3
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} A-B, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products
  • {SNA} A - D, A-B, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products
  • {Chemicalbook} 食品添加剂: 食用香料(增香剂): 天然等同香料和人造香

相关文献及参考

  • Short: II/5 Title: Molecular Acoustics Author: Schaaffs, W. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/5 Year: 1967 ISBN: 3-540-03897-3 ISBN: 978-3-540-03897-9 Internet Resource: DOI:10.1007/b19950 RefComment: 321 figs., XII, 286 pages, Hardcover
  • 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/15A Title: Diffusion in Gases, Liquids and Electrolytes: Gases in Gases, Liquids and their Mixtures Author: Winkelmann, J Editor: Lechner, Manfred Dieter Source: Landolt-Börnstein, New Series Volume: IV/15A Year: 2007 Keyword: binary mixture; diffusion; electrolyte; gas; liquid; quaternary mixture; self-diffusion; supercritical fluid system; ternary mixture; vapor ISBN: 978-3-540-62429-5 (print) ISBN: 978-3-540-49718-9 (online) Internet Resource: doi:10.1007/978-3-540-49718-9 RefComment: VIII, 409 p., Hardcover RefComment: Written for: Science and engineers in the fields of physics, chemistry, physical chemistry, and material sciences Abstract: Diffusion – defined as mass, amount, or particle transport process – is the most essential transport property besides viscosity and thermal conductivity. Diffusion is widely used in nature, technical and scientific applications, ranging from diffu

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSLQ9370000
Precautionary statements
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P305+P351+P338
  • P337+P313
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P403+P233
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P303+P361+P353
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P370+P378
  • P304+P340+P312
  • 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+P337+P313
  • P241+P242+P243
  • P304+P340
  • P233 Keep container tightly closed. ?保持容器密闭。
Signal word Warning
Safety Statements
  • S24 Avoid contact with skin 避免皮肤接触;
Hazard Codes Xi
Risk Statements
  • R36/37 Irritating to eyes and respiratory system 对眼睛和呼吸系统有刺激性
  • R10 Flammable 易燃
UN Number 1109 UN 1109 3/PG 3
Packing GroupIII
Hazard Class3
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           : >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: 18,649,1980

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: 18,649,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 6300 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            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 14 gm/m3
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 51(5),61,1986

其他信息

  • 参考质量标准:FCC,1996 含量(各种异构体之和) ≥92.0% 酸值(溶解中加冰至溶解) ≤5.0 折射率(n D 20 ) 1.396~1.402 相对密度(d 25 25 ) 0.881~0.887
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度
  • 毒性分级:低毒
  • FEMA:2068
  • 灭火剂:干粉、干砂、二氧化碳、泡沫、1211灭火剂
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • 职业标准:STEL 10 毫克/ 立方米
  • Sigma Aldrich:638-49-3(sigmaaldrich)
  • 图谱信息:甲酸戊酯(638-49-3)Raman光谱 甲酸戊酯(638-49-3)核磁图( 1 HNMR) 甲酸戊酯(638-49-3)红外图谱(IR1) 甲酸戊酯(638-49-3)质谱(MS) 甲酸戊酯(638-49-3)核磁图( 13 CNMR) 甲酸戊酯(638-49-3)红外图谱(IR2)
  • TCI Shanghai:甲酸戊酯 Amyl Formate,>;95.0%(GC)(638-49-3)
  • 方法一:甲酸与正戊醇在硫酸催化下酯化后,中和、精馏而得。 正戊醇与一氧化碳在高压下反应而得。
  • 上游原料:一氧化碳 --> 1-戊醇
  • 类别:易燃液体
  • MSDS 信息:甲酸正戊酯(638-49-3).msds
  • 用途一:GB 2760--1996规定为允许使用的食用香料。
  • 甲酸戊酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 F0049 甲酸戊酯 Amyl Formate 500ML 1320元 2014/06/02 F0049 甲酸戊酯 Amyl Formate 25ML 208元
  • 毒性:作为香料可安全用于食品(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
  • 含量分析:按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 使用限量:FEMA(mg/kg):饮料13;冷饮11;糖果31;焙烤食品8.0;胶姆糖170。
  • MOL 文件:638-49-3.mol
  • 急性毒性:口服- 大鼠 LD50: >; 5000 毫克/ 公斤; 皮肤-兔子 LD50: >;5000 毫克/公斤
  • 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) 甲酸戊酯 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
  • 外观性质:无色液体。

系列性分类


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