CAS 104-53-0 MFCD00007021-3-Phenylpropanal 苯丙醛 TAO{mole}

3-Phenylpropanal 苯丙醛

CAS 104-53-0 MFCD00007021

化学结构图

SMILES: O=CCCc1ccccc1

化学属性

Mol. Formula	C9H10O
Mol. Weight	134.18
Refractive index	1.5200 to 1.5250
Boiling Point	97-98°C at 12 mmHg
Density	1.019
Flash Point	95.0 °C
TSCA	Yes
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 Name	3-Phenylpropanal
CAS Number	104-53-0
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 ID	87574463
EC Number	203-211-8
Beilstein Registry Number	1071910
MDL Number	MFCD00007021
Reaxys-RN	1071910
Chemical Name Translation	苯丙醛
Wiswesser Line Notation	VH2R
LabNetwork Molecule ID	LN00336562
InChI	InChI=1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
Canonical SMILES	O=CCCC1=CC=CC=C1

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品牌质保精细包装现货库存一流品牌服务

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)