α-Methyl-cinnamaldehyde(predominantly trans) α-甲基肉桂醛(predominantly trans)

CAS 101-39-3 MFCD00006976

化学结构图

101-39-3
SMILES: C/C(C=O)=C/c1ccccc1

化学属性

Mol. FormulaC10H10O
Mol. Weight146.19
Density1.047
Boiling Point254.6°C at 760 mmHg
Refractive index1.6030 to 1.6070
Flash Point79°C
TSCAYes
Solubility<0.1 G/100 ML AT 21 ºC
Stability对空气敏感
Appearance 黄色液体。具有桂皮似香气，有甜味。沸点148℃(3600Pa)，闪点79℃。溶于乙醇，丙二醇和非挥发性油，不溶于甘油和水。

别名和识别编码

Chemical Nameα-Methyl-cinnamaldehyde(predominantly trans)
MDL NumberMFCD00006976
PubChem Substance ID87572613
CAS Number101-39-3
EC Number202-938-8
Beilstein Registry Number7,369
Reaxys-RN507514
Synonym 2-Methyl-3-phenylacrylaldehyde {LY} 2-Methyl-3-phenylacrylaldehyde {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-Methyl-3-phenylacrylaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translationα-甲基肉桂醛(predominantly trans)
Wiswesser Line NotationVHYU1R
InChIKeyVLUMOWNVWOXZAU-VQHVLOKHSA-N
LabNetwork Molecule IDLN00223627
InChIInChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3/b9-7+
Canonical SMILESO=C/C(C)=C/C1=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
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; 1fragment
  • {SNA} A-D, Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, M-N
  • {SNA} A-D, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Kosher Certified Products, L-M, M-N
  • Aldehydes, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} Aldehydes, Building Blocks, C10-C12, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-D, Alphabetical Lis

相关文献及参考

  • Beilstein:7,369
  • Short: EINECS
  • Short: III/38B
  • Short: IV/20B

安全信息

WGK Germany1
RTECSGD6600000
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)
Signal word Warning
GHS Symbol
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S37 Wear suitable gloves 戴适当手套；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
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。
  • 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+P350
  • P302+P352+P332+P313+P362+P364
  • 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
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored
Hazard Codes Xi 
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: 13,853,1975

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2050 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: 13,853,1975

其他信息

  • 毒性:GRAS(FEMA)。 LD 50 2050 mg/kg(大鼠，经口)。
  • 用途一:用作药物依帕司他中间体
  • 使用限量:FEMA(mg/kg)：软饮料0.50～11；冷饮1.0～15；糖果26；焙烤食品27；胶姆糖430。 适度为限(FDA§172．515，2000)。
  • MSDS 信息:3-Phenyl-2-methyl acrolein(101-39-3).msds
  • alpha-甲基肉桂醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0584 α-甲基肉桂醛 alpha-Methylcinnamaldehyde 25G 163元 2014/06/02 M0584 α-甲基肉桂醛 alpha-Methylcinnamaldehyde 500G 604元 2010/06/21 150470050 alpha-甲基肉桂醛 alpha-Methylcinnamaldehyde 98% 5 GR 286元
  • 敏感性:Air Sensitive
  • Sigma Aldrich:101-39-3(sigmaaldrich)
  • 海关编码:29122900
  • MOL 文件:101-39-3.mol
  • 上游原料:碳酸钠 --> 苛性苏打
  • 图谱信息:alpha-甲基肉桂醛(101-39-3)核磁图( 13 CNMR) alpha-甲基肉桂醛(101-39-3)质谱(MS) alpha-甲基肉桂醛(101-39-3)核磁图( 1 HNMR) alpha-甲基肉桂醛(101-39-3)红外图谱(IR1)
  • 方法一:由苯甲醛与丙醛在1%苛性苏打水溶液中缩合而成。
  • 含量分析:方法一准确称取试样约2.3 g(或1g)，然后按醛测定法(OT-6)测定。计算中的当量因子(e)
  • 参考质量标准:指标名称@FCC,1997 含量 ≥97.0%(一种主要异构体) 折射率(n D 20 ) 1.602~1.607 相对密度(d 25 25 ) 1.035~1.039 醇中溶解度(OT-43) lml溶于3mL 70％乙醇，稀释后仍澄明 酸值(OT-4) ≤5.0
  • Acros Organics:alpha-甲基肉桂醛 alpha-Methylcinnamaldehyde, 98%(101-39-3)
  • TCI Shanghai:α-甲基肉桂醛 alpha-Methylcinnamaldehyde,>;95.0%(GC)(T)(101-39-3)
  • FEMA:2697
  • 用途二:GB 2760--1996规定为允许使用的食用香料。主要用以配制香辛料香精和配合桂醛使用。
  • Alfa Aesar:α－甲基肉桂醛,predominantly(E),97% alpha-Methylcinnamaldehyde, predominantly (E), 97%(101-39-3)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C10-C12 - Aldehydes
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aldehydes - Carbonyl Compounds
  6. C10 to C21