Benzyl Ether 二苄醚

CAS 103-50-4 MFCD00004780

化学结构图

103-50-4
SMILES: c1ccc(COCc2ccccc2)cc1

化学属性

Mol. FormulaC14H14O
Mol. Weight198.27
Refractive index1.5570 to 1.5670
Boiling Point298°C at 760 mmHg
Density1.043 g/mL at 25 °C(lit.)
Melting Point1.5-3.5°C
Flash Point135°C
TSCAYes
Solubility不溶
Appearance 无色至淡黄色油状液体，有淡杏仁香气和蘑菇香味及泥土味。不溶于水，溶于醇、醚、丙酮和氯仿。密度 1.04,熔点 1.5-3.5℃,沸点 298℃,折光率nD20 1.561-1.563,闪点 135℃

别名和识别编码

Chemical NameBenzyl Ether
MDL NumberMFCD00004780
CAS Number103-50-4
Synonym (Oxybis(methylene))dibenzene {LY} (Oxybis(methylene))dibenzene {} {LY} (Oxybis(methylene))dibenzene {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} { {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} (Oxybis(methylene))dibenzene {} {} {} {} {} {} {}
PubChem Substance ID87563459
EC Number203-118-2
Beilstein Registry Number6,434
Merck Number1132
Chemical Name Translation二苄醚
Reaxys-RN1911156
Wiswesser Line NotationR1O1R
LabNetwork Molecule IDLN00196319
InChIInChI=1S/C14H14O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-10H,11-12H2
Canonical SMILESC1(COCC2=CC=CC=C2)=CC=CC=C1
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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
  • {SNA} Building Blocks, C14, Chemical Synthesis, Ethers, Organic Building Blocks, Oxygen Compounds
  • {SNA} A - D, A-B, A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances,

相关文献及参考

  • Short: II/3 Title: Luminescence of Organic Substances Author: Schmillen, A.; Legler, R. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/3 Year: 1967 ISBN: 3-540-03895-7 ISBN: 978-3-540-03895-5 Internet Resource: DOI:10.1007/b86158 RefComment: 270 figs., VIII, 416 pages. Hardcover Abstract: For more than 1000 luminescent organic substances the most important data are represented as wave numbers of absorption and emission bands, decay times and quantum efficiencies. Additional tables contain further information for restricted groups of substances (figures on typical spectra, wave numbers of sharp single bands, influence of surrounding molecules, etc.).
  • Short: III/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35D2 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 2: Aromatic Compounds Author: Mikhova, B. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D2 Year: 2005 Keyword: aromatic compounds; carbon-13; chemical shift; coupling constant; molecular structure ISBN: 978-3-540-20189-2 ISBN: 3-540-20189-0 Internet Resource: DOI:10.1007/b83345 RefComment: VIII, 291 p., Hardcover RefComment: Writte

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
  • 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
  • H410 Verytoxictoaquaticlifewithlonglastingeffects 对水生生物毒性非常大并具有长期影响。
  • H411 Toxictoaquaticlifewithlonglastingeffects 对水生生物有毒性并具有长期影响。
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSDQ6125000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P272 Contaminated work clothing should not be allowed out of the workplace. 污染的工作服不得带出工作场所。
  • P273 Avoid release to the environment. 避免释放到环境中。
  • 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。
  • P302+P352+P333+P313+P362+P364
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P332+P313
  • P337+P313
  • P391 Collect spillage. Hazardous to the aquatic environment 收集对水环境有危害的泄漏物。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Packing GroupIII
UN Number 3082 UN 3082 9/PG 3 UN3082
Risk Statements
  • R51/53
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R37 Irritating to respiratory system 刺激呼吸道
  • R50/53
Safety Statements
  • 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；
  • S61 Avoid release to the environment. Refer to special instructions/safety data sheet 避免释放到环境中，参考特别指示/安全收据说明书；
  • 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；
  • S57 Use appropriate containment to avoid environmental contamination 使用适当容器避免环境污染；
Hazard Codes Xi,N Xi;N
Hazard Class9 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 4300 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - food intake (animal)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TOVEFN Toksikologicheskii Vestnik.  (18-20 Vadkovskii per.  Moscow, 101479,
   Russia) History Unknown  Volume(issue)/page/year: (1),34,1997

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2500 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: 16,703,1978

Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 毒性:GRAS(FEMA)。 LD 50 2500 mg/kg(大鼠，经口)。
  • 上游原料:苄基氯 --> 苄醇
  • 毒性分级:中毒
  • 苄醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K3363002 二苄醚 1L 386元 2011/04/16 B0418 二苄基醚 Dibenzyl Ether 500ML 218元 2011/04/16 B0418 二苄基醚 Dibenzyl Ether 25ML 124元
  • 用途二:香料。主要用于配制蘑菇和樱桃香精。
  • 参考质量标准:FCC，1996 含量 98.0% 相对密度(d 25 25 ) 1.039～1.044 折射率(n D 20 ) 1.557～1.565 含氯试验(OT-13) 阴性 醇中溶解度 1ml溶于1mL 95%乙醇
  • 储运特性:库房通风低温干燥; 与氧化剂分开存放
  • Sigma Aldrich:103-50-4(sigmaaldrich)
  • FEMA:2371
  • TCI Shanghai:二苄基醚 Dibenzyl Ether,>;95.0%(GC)(103-50-4)
  • 急性毒性:口服- 大鼠 LD50: 2500 毫克/ 公斤
  • 类别:易燃液体
  • 使用限量:FEMA(mg/kg)：软饮料8.3；冷饮5.6；糖果23；焙烤食品25；胶姆糖85～160。 适度为限(FDA§172．515，2000)。
  • 刺激数据:皮肤- 兔子 500 毫克/ 24小时 轻度; 眼睛 -兔子 500 毫克/ 24小时 轻度
  • Alfa Aesar:苄醚,98+% Dibenzyl ether, 98+%(103-50-4)
  • Acros Organics:苄醚 Benzyl ether, 99%(103-50-4)
  • 有淡杏仁香气和蘑菇香味及泥土味。不溶于水，溶于醇、醚、丙酮和氯仿。
  • 可燃性危险特性:受热和明火易燃; 燃烧产生刺激烟雾; 本身高浓度蒸汽对人有麻醉作用
  • 用途一:用作气相色谱固定液及硝化纤维素的增塑剂，也用于香料的制备
  • F:9
  • 含量分析:按气相色谱法(GT-10-4)中用非极化柱的方法进行测定。
  • 灭火剂:干粉、二氧化碳
  • 图谱信息:苄醚(103-50-4)红外图谱(IR2) 苄醚(103-50-4)核磁图( 1 HNMR) 苄醚(103-50-4)Raman光谱 苄醚(103-50-4)核磁图( 13 CNMR) 苄醚(103-50-4)质谱(MS) 苄醚(103-50-4)红外图谱(IR1)
  • 爆炸物危险特性:与氧化剂反应激烈; 可自行爆炸
  • MOL 文件:103-50-4.mol
  • 方法一:由氯化苄水解制备苯甲醇时的副产品，如在该反应中用浓碱代替碳酸盐，则得率可提高至50%或更高。
  • 下游产品:2-甲基-3-羟基-4-吡喃酮 --> 乙基麦芽酚

系列性分类

  1. Analytical & Chromatography 分析化学与色谱
  2. Ion Sensor Materials
  3. Plasticizer for ISE - Ion Sensor Materials
  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. A-D - 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. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Ethers - Oxygen Compounds
  6. C20 to C60+ - Ethers
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Epoxides