Butyric Acid Hexyl Ester 丁酸己酯

CAS 2639-63-6 MFCD00048884

化学结构图

2639-63-6
SMILES: CCCCCCOC(=O)CCC

化学属性

Mol. FormulaC10H20O2
Mol. Weight172.27
Refractive index1.4150 to 1.4190
Boiling Point205°C(lit.)
Density0.851
Flash Point81°C(lit.)
Appearance 丁酸己酯(2639-63-6)为无色液体,具有甜果香味。

别名和识别编码

Chemical NameButyric Acid Hexyl Ester
Synonym {uni_hamburg} HEXYL BUTYRATE 98+% NATURAL n-Hexyl butanoate butyric acid hexyl ester N-HEXYL BUTYRATE N-BUTYRIC ACID N-HEXYL ESTER n-Hexyl n-butyrate 1-hexylbutyrate n-Hexyl butyrate HEXYL BUTYRATE 98+% Hexylbutyrat HEXYL-N-BUTYRATE, NATURAL 丁酸已酯 1-Hexyl butyrate n-Hexyl n-butanoate FEMA 2568 HEXYL BUTYRATE hexyl butyrate HEXYL BUTANOATE Hexyl butanoate Butanoicacid,hexylester HEXYL-N-BUTYRATE 丁酸己酯 n-hexylbutanoate
MDL NumberMFCD00048884
CAS Number2639-63-6
PubChem Substance ID17525
EC Number220-136-6
Chemical Name Translation丁酸己酯
Reaxys-RN1754469
Beilstein Registry Number2(4)791
Wiswesser Line Notation6OV3
LabNetwork Molecule IDLN00199863
InChIInChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3
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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, Certified Food Grade Products, E - H, E-H, Flavors and Fragrances, Follows IFRA Guidelines, G-H, H-J, Halal Certified Products, Kosher Certified Products
  • {SNA} Alphabetical Listings, Certified Food Grade Products,

相关文献及参考

  • 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/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
  • Short: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

WGK Germany2
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
RTECSET4203000
Signal word
Hazard statements
  • H227 Combustible liquid 可燃液体
Precautionary statements
  • 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。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • 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。
  • P332+P313
  • P370+P378
  • P403+P235
UN Number 1993 3272
Safety Statements
Risk Statements
  • R10 Flammable 易燃
Packing GroupⅢ
GHS Symbol
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: 17,815,1979

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: 17,815,1979

其他信息

  • 方法一:由丁酸和正己醇在盐酸存在下进行酯化而成。
  • TCI Shanghai:丁酸己酯 Hexyl Butyrate,>;98.0%(GC)(2639-63-6)
  • 使用限量:FEMA(mg/kg):软饮料2.6;冷饮2.1;糖果7.8;焙烤食品8.6。 适度为限(FDA§172.515,2000)。
  • FEMA:2568
  • 用途一:GB 2760一96规定为允许使用的食用香料。主要角于配制菠萝、苹果、柑橘、甜瓜、猕猴桃、梨和草莓等香精。
  • MOL 文件:2639-63-6.mol
  • Sigma Aldrich:2639-63-6(sigmaaldrich)
  • MSDS 信息:Hexyl butyrate(2639-63-6).msds
  • 丁酸己酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 B1891 丁酸己酯 Hexyl Butyrate 500ML 753元 2014/06/02 B1891 丁酸己酯 Hexyl Butyrate 25ML 169元
  • 图谱信息:丁酸己酯(2639-63-6)红外图谱(IR2) 丁酸己酯(2639-63-6)Raman光谱 丁酸己酯(2639-63-6)核磁图( 13 CNMR) 丁酸己酯(2639-63-6)质谱(MS) 丁酸己酯(2639-63-6)核磁图( 1 HNMR) 丁酸己酯(2639-63-6)红外图谱(IR1)
  • 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) 丁酸己酯 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
  • 参考质量标准:FAO/WHO,1997 含量(GT-10-4) ≥95.0% 酸值(OT-4) ≤1.0 折射率(n D 20 ) 1.413~1.419 相对密度(d 25 25 ) 0.858~0.869
  • 上游原料:正己醇
  • 毒性:GRAS(FEMA)。

系列性分类


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