CAS 93-53-8 MFCD00006973-2-Phenylpropionaldehyde 2-苯基丙醛 TAO{mole}

2-Phenylpropionaldehyde 2-苯基丙醛

CAS 93-53-8 MFCD00006973

化学结构图

SMILES: CC(C=O)C1CCCCC1

化学属性

Mol. Formula	C9H10O
Mol. Weight	134.18
Refractive index	1.5150 to 1.5190
Boiling Point	201°C at 12 mmHg
Density	1.002 g/mL at 25 °C(lit.)
Flash Point	76.1°C
TSCA	Yes
Appearance	水白色至淡黄色液体。呈水仙花、青草叶子和瓜类似香气。沸点222℃，闪点69℃。Lml溶于1.5mL 70％乙醇，溶于大多数非挥发性油和矿物油，不溶于甘油，微溶于丙二醇。
Melting Point	60 °C

别名和识别编码

Chemical Name	2-Phenylpropionaldehyde
CAS Number	93-53-8
PubChem Substance ID	87574805
EC Number	202-255-5
Beilstein Registry Number	7,305
MDL Number	MFCD00006973
Chemical Name Translation	2-苯基丙醛
Reaxys-RN	1905601
Wiswesser Line Notation	VHY1&R
Synonym	Hydratropaldehyde {LY} Hydratropaldehyde {} {LY} Hydratropaldehyde {} {} {LY} Hydratropaldehyde {} {} {} {LY} Hydratropaldehyde {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Hydratropal
LabNetwork Molecule ID	LN00222007
InChI	InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3
Canonical SMILES	O=CC(C)C1=CC=CC=C1

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安全信息

GHS Symbol

WGK Germany3

Hazard statements

H227 Combustible liquid 可燃液体
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

Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Hazard Codes Xi

RTECSCY1460000

Precautionary statements

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。
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+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
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
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

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

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；
S36/37/39 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；

Storage condition -20°C, stored under nitrogen {LY} -20°C, stored under nitrogen 0-10°C Air Sensitive Refrigerator {} {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, st

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2800 mg/kg
TOXIC EFFECTS :
   Behavioral - coma
   Skin and Appendages - hair
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 2,327,1964

其他信息

下游产品:2-苯基-1-丙醇
图谱信息:2-苯基丙醛 (93-53-8)质谱(MS) 2-苯基丙醛 (93-53-8)红外图谱(IR2) 2-苯基丙醛 (93-53-8)红外图谱(IR1) 2-苯基丙醛 (93-53-8)Raman光谱
FEMA:2886
上游原料:氯乙酸乙酯 --> 乙酰苯 --> 苯基-1,2-乙二醇
敏感性:Air Sensitive
MOL 文件:93-53-8.mol
F:9-23
Alfa Aesar:2-苯基丙醛,97% 2-Phenylpropionaldehyde, 97%(93-53-8)
用途一:GB 2760--1996规定为允许使用的食用香料。主要用以配制瓜类、杏仁、樱桃、桃子、梅子等型香精。
含量分析:按醛测定法(OT-6)测定。所取试样量为1g。计算中的当量因子(e)取67.09。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 含量 ≥95.0% 折射率(n D 20 ) 1.515～1.520 相对密度(d 25 25 ) 0.998～1.006 酸值(OT-4) ≤5.0
毒性:GRAS(FEMA)。 LD 50 2800mg/kg(大鼠，经口)。
TCI Shanghai:2-苯基丙醛 2-Phenylpropionaldehyde,>;95.0%(GC)(93-53-8)
Sigma Aldrich:93-53-8(sigmaaldrich)
Acros Organics:2-苯基丙醛 DL-2-Phenylpropionaldehyde, 98%(93-53-8)
方法一:由乙酰苯和氯乙酸乙酯在碱性条件下缩合而成。由甲基苯基乙二醇在常压下蒸馏而得。
使用限量:FEMA(mg/kg)：软饮料0.61；冷饮0.30；糖果0.85；焙烤食品0.85。适度为限(FDA§172．515，2000)。