3-Phenylpropanal 苯丙醛

CAS 104-53-0 MFCD00007021

化学结构图

104-53-0
SMILES: O=CCCc1ccccc1

化学属性

Mol. FormulaC9H10O
Mol. Weight134.18
Refractive index1.5200 to 1.5250
Boiling Point97-98°C at 12 mmHg
Density1.019
Flash Point95.0 °C
TSCAYes
Melting Point-42 °C
Stability对空气敏感
Appearance 无色液体。沸点222℃,相对密度1.010-1.020,折射率1.520-1.532,闪点97℃,溶于2倍体积70%乙醇及大多数油脂类,酸值<;5.0。带有焦甜青而有些似苏合香膏香和风信子的甜鲜花香,也略有似兔耳草醛香气,但带暖甜辛香,桂香底蕴,香气强浓持久。

别名和识别编码

Chemical Name3-Phenylpropanal
CAS Number104-53-0
Synonym 3-Phenylpropanal {LY} 3-Phenylpropanal {} {LY} 3-Phenylpropanal {} {} {LY} 3-Phenylpropanal {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-Phenylpropanal {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87574463
EC Number203-211-8
Beilstein Registry Number1071910
MDL NumberMFCD00007021
Reaxys-RN1071910
Chemical Name Translation苯丙醛
Wiswesser Line NotationVH2R
LabNetwork Molecule IDLN00336562
InChIInChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
Canonical SMILESO=CCCC1=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
  • {SA} Aldehydes, Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {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, E - H, E-H, Flavors and Fragrances, G-H, H-J, Halal Certified Products,
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; 1fragment

相关文献及参考

  • Beilstein:7(3)1046
  • Short: IV/1a
  • Short: IV/20B
  • Short: EINECS

安全信息

GHS Symbol
WGK Germany2
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSMW4890000
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
  • 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
Signal word Warning
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;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
  • S37 Wear suitable gloves 戴适当手套;
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
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen 2-8°C Air Sensitive {} {LY} -20°C, stored under nitrogen {} {} {LY} -20°C, stored under nitrogen {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, stored under nitrogen
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: 12,967,1974

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#05219

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: 12,967,1974

其他信息

  • 海关编码:29122900
  • 用途三:可少量用于风信子、香石竹、铃兰、紫丁香、兔耳草花、依兰、玫瑰、茉莉、甜豆花、葵花、木樨草、新刈草等香型香精,有增甜和增强香气的效能。也可用于香薇、月桂、辛香、烟草香韵中。还可作为食用香料用于杏仁、浆果、葡萄、樱桃、桃子、梅子、桂皮等香精中。
  • 苯丙醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 P0217 3-苯基丙醛 3-Phenylpropionaldehyde 25G 208元 2014/06/02 P0217 3-苯基丙醛 3-Phenylpropionaldehyde 500G 1750元 2010/06/21 240511000 苯丙醛 3-Phenylpropionaldehyde 95% 100 GR 714元
  • 上游原料:1,1-二乙氧基乙烷 --> 反式肉桂醛
  • 有像风信子的香气。微溶于水,溶于乙醇。
  • Alfa Aesar:3-苯基丙醛,95% 3-Phenylpropionaldehyde, 95%(104-53-0)
  • MSDS 信息:Benzylacetaldehyde(104-53-0).msds
  • 用途一:广泛用于配制各种花香型香精,特别是紫丁香、茉莉和玫瑰花香型香精
  • 用途四:广泛用于配制各种花香型香精,特别是紫丁香、茉莉和玫瑰花香型香精。
  • 毒性:GRAS(FEMA)。
  • 方法一:用苯丙腈为起始原料,或由桂醛二:乙基乙缩醛制成。
  • 用途二:GB 2760—1996规定为允许使用的食用香料。主要用以配制葡萄、樱桃、桃、杏仁、香辛料等型香精。
  • 使用限量:FEMA(mg/kg):软饮料1.0;冷饮1.7;糖果5.0;焙烤食品5.5;布丁类4.3。 适度为限(FDA§172.515,2000)。
  • MOL 文件:104-53-0.mol
  • Acros Organics:3-苯基丙醛 3-Phenylpropionaldehyde, 95%(104-53-0)
  • 含量分析:用移液管吸取试样5ml,放入一100ml具刻度的细颈烧瓶中,加10%(W/W)焦亚硫酸钠液70ml。在水浴上将内容物加热至50~60℃,并强烈振摇烧瓶15min。静置,当液层充分分离后,再加上述焦亚硫酸钠液,使油层液面到达瓶颈刻度处。所分出的油层不得超过0.5ml。 或按气相色谱法(GT-10-4)中用非极性柱方法测定。
  • 参考质量标准:FCC,1996 醛含量(以容积计) ≥90% 折射率(n D 20 ) l.520~1.532 相对密度(d 25 25 ) 1.010~1.020 酸值(OT-4) ≤10.0 氯化物试验(OT-13) 阴性 醇中溶解度 1ml溶于7mI60%乙醇,稀释后不变
  • FEMA:2887
  • Sigma Aldrich:104-53-0(sigmaaldrich)
  • 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) 苯丙醛 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
  • 敏感性:Air Sensitive
  • 图谱信息:苯丙醛(104-53-0)核磁图( 1 HNMR) 苯丙醛(104-53-0)Raman光谱 苯丙醛(104-53-0)核磁图( 13 CNMR) 苯丙醛(104-53-0)质谱(MS) 苯丙醛(104-53-0)红外图谱(IR2) 苯丙醛(104-53-0)红外图谱(IR1)
  • F:10-23
  • 下游产品:(2,2-二甲氧基-1-甲基乙基)苯
  • TCI Shanghai:3-苯基丙醛 3-Phenylpropionaldehyde,>;90.0%(GC)(104-53-0)

系列性分类