丁酸环己酯 丁酸环己酯

CAS 1551-44-6 MFCD00046354

化学结构图

1551-44-6
SMILES: CCCC(=O)Oc1ccccc1

化学属性

Mol. FormulaC10H18O2
Mol. Weight170
Density0.940
Refractive index1.4400 to 1.4440
TSCAYes
Boiling Point208°C(lit.)
Flash Point78°C(lit.)
Appearance 无色或微带黄色透明液体。呈油脂和苹果似香味。溶于乙醇和乙醚,几乎不溶于水。

别名和识别编码

Chemical Name丁酸环己酯
Synonym CYCLOHEXYL BUTYRATE 98+% Butyric acid cyclohexyl Butanoicacid,cyclohexylester CYCLOHEXANOL BUTANOATE butyricacid,cyclohexylester cyclohexyl butyrate Cyclohexylbutyrat Butanoic acid, cyclohexyl ester Cyclohexylbutanoat Cyclohexyl butyrate Cyclohexanyl butyrate Cyclohexyl blatyrate Butyric acid, cyclohexyl ester Butanoic acid cyclohexyl CYCLOHEXYL BUTYRATE Cyclohexyl butanoate butyricacidcyclohexylester butyric acid cyclohexyl ester N-BUTYRIC ACID CYCLOHEXYL ESTER 丁酸环己酯 cyclohexyl butanoate CYCLOHEXYL N-BUTYRATE N-BUTYRIC ACID CYCLOHEXYL ESTER 99+% cyclohexylbutanoate Butyric acid cyclohexyl ester FEMA 2351
MDL NumberMFCD00046354
CAS Number1551-44-6
EC Number216-290-9
Beilstein Registry Number6(4)37
PubChem Substance ID243783
Reaxys-RN2083414
Chemical Name Translation丁酸环己酯
LabNetwork Molecule IDLN00222764
InChIInChI=1S/C10H18O2/c1-2-6-10(11)12-9-7-4-3-5-8-9/h9H,2-8H2,1H3
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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料
  • {uni_hamburg} no charge; carbocycle; alicycle; 6RingOnly; 6ring; ester; 1fragment
  • {SNA} A-D, Alphabetical Listings, C-D, Flavors and Fragrances, Kosher Certified Products
  • {SNA} A-D, Alphabetical Listings, C-D, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified 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/6 Title: Static Dielectric Constants of Pure Liquids and Binary Liquid Mixtures Author: Wohlfarth, Ch. Editor: Madelung, O. Source: Landolt-Börnstein, New Series Volume: IV/6 Year: 1991 Keyword: organic compounds; dielectric constant; liquids; mixtures ISBN: 3-540-54417-8 ISBN: 978-3-540-54417-3 Internet Resource: DOI:10.1007/b44266 RefComment: VIII, 521 pages.
  • Short: LC Title: LiqCryst 4.6 - Database of Liquid Crystals Author: Vill, V. Year: 2005 Keyword: Flüssigkristalle; LCD; Phasenumwandlung Internet Resource: http://liqcryst.chemie.uni-hamburg.de/
  • 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

RTECSES8915000
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
WGK Germany2
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。
  • P370+P378
  • P403+P235
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,293,1988

TYPE OF TEST            : LDLo - Lowest published lethal dose
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 :
   FCTOD7 Food and Chemical Toxicology.  (Pergamon Press Inc., Maxwell House,
   Fairview Park, Elmsford, NY 10523)  V.20-    1982- Volume(issue)/page/year:
   26,293,1988

其他信息

  • 使用限量:FEMA(mg/kg):软饮料3.9;冷饮
  • 用途一:香料。主要用于配制苹果、香蕉、菠萝和葡萄等型香精。
  • 方法一:由环己醇与丁酸在少量浓硫酸催化下加热酯化而成,然后中和、水洗、干燥后蒸馏精制而得。
  • Sigma Aldrich:1551-44-6(sigmaaldrich)
  • 上游原料:浓硫酸 --> 丁酸 --> 环己醇
  • FEMA:2351
  • 鉴别试验:取试样1ml,加10%氢氧化钾乙醇液5ml,装上回流冷凝器,在水浴上加热1h,原有香气消失。冷却后加稀硫酸试液(TS-241)使其呈酸性,在温水中摇匀时,即发生丁酸的特殊气味。 取试样0.2ml,加硝酸1ml,在水浴上加热20min,再在砂浴上蒸干,但勿使其炭化。冷却后加水4ml和氢氧化钠试液(TS-244)0.5ml,使之溶解,再加稀硝酸试液(TS-158)使成为微酸性。当加入1ml硝酸银试液(TS-210)时,有白色沉淀生成。再加入稀硝酸使其呈强酸性时,沉淀溶解。
  • 含量分析:按酯测定法(OT-18)中方法一测定。所取试样量为1g。计算中的当量因子(e)取85.13。
  • Alfa Aesar:丁酸环己酯,99% Cyclohexyl butyrate, 99%(1551-44-6)
  • TCI Shanghai:丁酸环己酯 Cyclohexyl Butyrate,>;99.0%(GC)(1551-44-6)
  • 图谱信息:丁酸环己酯 (1551-44-6)质谱(MS) 丁酸环己酯 (1551-44-6)红外图谱(IR1) 丁酸环己酯 (1551-44-6)核磁图( 1 HNMR) 丁酸环己酯 (1551-44-6)Raman光谱 丁酸环己酯 (1551-44-6)核磁图( 13 CNMR)
  • 参考质量标准:日本标准,1999 含量 ≥98% 折射率n D 20 1.441~l.444 相对密度d<20 0.941~0.945 重金属(Pb计,GT-16) ≤10mg/kg 酸值(OT-4) ≤1 醇中溶解度(OT-43) 1m1溶于5mI。70%乙醇,透明

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