(2,2-Dimethoxyethyl)Benzene (2,2-二甲氧基乙基)苯

CAS 101-48-4 MFCD00008487

化学结构图

101-48-4
SMILES: COC(Cc1ccccc1)OC

化学属性

Mol. FormulaC10H14O2
Mol. Weight166.22
Refractive index1.4930 to 1.4950
Boiling Point219-221 °C at 754 mmHg
Density1.004 g/mL at 25 °C(lit.)
Flash Point90°C(lit.)
TSCAYes
Appearance 无色液体。具有强烈青草香甜气。比苯乙醛稳定。沸点219℃,闪点88.3℃。溶于乙醇、大多数非挥发性油和丙二醇,不溶于水、甘油和矿物油。 天然品存在于可可豆中。

别名和识别编码

Chemical Name(2,2-Dimethoxyethyl)Benzene
MDL NumberMFCD00008487
CAS Number101-48-4
Synonym Phenylacetaldehyde Dimethyl Acetal {LY} Phenylacetaldehyde Dimethyl Acetal {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dimethyl Acetal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Phenylacetaldehyde Dime
PubChem Substance ID60995
EC Number202-945-6
Beilstein Registry Number7(4)664
Reaxys-RN879360
Chemical Name Translation(2,2-二甲氧基乙基)苯
Wiswesser Line Notation1OYO1&1R
LabNetwork Molecule IDLN00857046
InChIInChI=1S/C10H14O2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
Canonical SMILESCOC(CC1=CC=CC=C1)OC
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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, Flavors and Fragrances, Halal Certified Products, Kosher Certified Products, O-P, O-Z
  • {SNA} Acetals/Ketals/Ortho Esters, Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds
  • {SNA} Alphabetical Listings, Flavors and F

安全信息

WGK Germany1
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter 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)
RTECSAB3040000
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;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
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.....
  • 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。
  • 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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3500 uL/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: 13,899,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >2 mL/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: 13,899,1975

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

  • 参考质量标准:FCC,1996 含量 ≥95.0% 折射率(n D 20 ) 1.493~1.496 相对密度(d 25 25 ) 1.000~1.006 酸值(OT-4) ≤1.0 氯化物试验(OT-13) 阴性 游离醛(苯乙醛计) ≤1.0% 醇中溶解度 1ml溶于2ml,70%乙醇,稀释至10ml不变
  • 毒性:GRAS(FEMA)。 LD 50 3500mg/kg(大鼠,经口)。
  • Sigma Aldrich:101-48-4(sigmaaldrich)
  • TCI Shanghai:苯乙醛二甲基缩醛 Phenylacetaldehyde Dimethyl Acetal,>;96.0%(GC)(101-48-4)
  • 下游产品:甲基苯乙基醚
  • 含量分析:按乙缩醛测定法(OT-2)测定。所取试样量为1g。计算中的当量因子(e)取83.11。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 用途三:它是最常用的缩醛,用于玫瑰、风信子和紫丁香型香精中最宜,也可用于茉莉、兰花型香精中。也常用于栀子、木樨草、香石竹等香型,能得辛叶香、甜花香和壤根香。它与橡苔和树苔制品、香叶油、岩兰草油、防风根油共用于玫瑰、香叶、玲兰及东方香型等香精,也有很好的效果。还可微量用于食用香精,如李子、杏子、樱桃、蜜香等型。
  • 使用限量:FEMA(mg/kg):软饮料0.40;冷饮0.78;糖果1.4;焙烤食品8.8;胶姆糖1.0。 适度为限(FDA§172.515,2000)。
  • 用途一:适用于玫瑰、紫丁香、风信子及茉莉等花香型香精,也用于李子、杏子等食用香精
  • Acros Organics:苯基乙醛二甲羧醛 Phenylacetaldehyde dimethyl acetal, 98%(101-48-4)
  • 苯基乙醛二甲羧醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P1161 苯乙醛二甲基缩醛 Phenylacetaldehyde Dimethyl Acetal 25ML 176元 2014/06/02 P1161 苯乙醛二甲基缩醛 Phenylacetaldehyde Dimethyl Acetal 500ML 1340元 2010/06/21 130271000 苯基乙醛二甲羧醛 Phenylacetaldehyde dimethyl acetal 98% 100 GR 248元
  • 图谱信息:苯基乙醛二甲羧醛(101-48-4)质谱(MS) 苯基乙醛二甲羧醛(101-48-4)核磁图( 13 CNMR) 苯基乙醛二甲羧醛(101-48-4)Raman光谱 苯基乙醛二甲羧醛(101-48-4)核磁图( 1 HNMR) 苯基乙醛二甲羧醛(101-48-4)红外图谱(IR1)
  • 方法一:将苯乙醛与含有氯化氢(1%~2%)的甲醇及氯化铵混合搅拌,升温至40~50℃,室温下放置两天,加入水、氯化钠和乙醚,分出油层,然后用水洗涤并分馏而得。
  • 上游原料:苯乙醛
  • Alfa Aesar:苯乙醛二甲基乙缩醛,98% Phenylacetaldehyde dimethyl acetal, 98%(101-48-4)
  • 方法二:在苯乙醛和甲醇的混合液中通入干燥的氯化氢,经缩合反应制得本品。
  • 用途二:GB 2760—1996规定为允许使用的香料。主要用以配制樱桃、杏、李、桃和梨等型香精。
  • MOL 文件:101-48-4.mol
  • FEMA:2876
  • 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) 苯乙醛二甲缩醛 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
  • 用途四:该品具有玫瑰和香叶香气,优雅而持久,常用于玫瑰等花香型香精中。

系列性分类


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