CAS 90-64-2 MFCD00064250-Mandelic acid 扁桃酸 TAO{mole}

Mandelic acid 扁桃酸

CAS 90-64-2 MFCD00064250

化学结构图

SMILES: O=C(O)C(O)C1CCCCC1

化学属性

Mol. Formula	C8H8O3
Mol. Weight	152
Density	1.3
Melting Point	119-121
TSCA	Yes
Appearance	白色斜方片状结晶，露置遇光变色分解。熔点119℃。相对密度 1.30。易溶于乙醚、异丙醇，溶于乙醇和水。R型熔点为133℃，[α]-159.73°（乙醇），于160℃ 逐渐外消旋化。S型熔点为133.8℃ ，[α]+156.57°（水）。
Solubility	150 g/L (20 °C)
Stability	对光敏感

别名和识别编码

Chemical Name	Mandelic acid
CAS Number	90-64-2
Alfabeta Name	HYDROXYPHENYLACETICACID 22---
MDL Number	MFCD00064250
EC Number	202-007-6
Beilstein Registry Number	510011
Synonym	苯羟乙酸苯基羟乙酸 DL-AMYGDALIC ACID PHENYLHYDROXYACETIC ACID DL-PHEN (±)-Mandelic acid α-羟基苯乙酸 Almond acid DL-苦杏仁酸 α-Hydroxyphenylacetic acid DL-2-hydroxy-2-phenylacetic acid; (+/-)-alpha-Hydroxyphenylacetic acid {Chemica -Hydroxyphenylacetic acid Benzeneacetic acid, α-hydroxy- alpha-Hydroxyphenylacetic acid (±)-α-Hydroxybenzeneacetic acid 2-羟基-2-苯基乙酸 {Chemi DL-O-HYDROXYPHENYLACETIC ACID (+/-)-alpha-Hydroxyphenylacetic acid 苯基羟基乙酸 Benzeneacetic acid, α-hydroxy-, (±)- 苯乙 ALPHA-HYDROXYPHENYLACETIC ACID DL-Mandelsäure ( 2-HYDROXY-2-PHENYLACETIC Acido mandelico
PubChem Substance ID	1292
Merck Number	5717
Chemical Name Translation	扁桃酸
Reaxys-RN	510011
Wiswesser Line Notation	QYR&VQ
LabNetwork Molecule ID	LN00174005
InChI	InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)

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分类

{SNA} Additional Standards, Alphabetical Index of Phytochemical
{SA} Analytical Reagents, Analytical Reagents for General Use, Analytical/Chromatography, Gravimetric Reagents, I-N, Puriss p.a., Puriss p.a.
{S
{uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; carboxylic acid; alcohol; racemate; 1fragment
{SNA} Alphabetical, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Chromatography, Drugs & Metabolites, Forensic and Veterinary Standards, I - M, Life Sciences Standards, M, MA - MD, Natural Compounds, Neat Compounds, Other, Phytopharma Standards, Standards for Personal Care and Cosmetic Products

产品应用

锆的特殊试剂，测定铜，有机合成，杀菌剂。

安全信息

Warnings IRRITANT

Signal word Warning

GHS Symbol

WGK Germany3

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S37/39 Wear suitable gloves and eye/face protection 穿戴适当的手套和眼睛/面保护；
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；
S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
S39 Wear eye/face protection 戴眼睛/面孔保护装置；

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
R22 Harmful if swallowed 吞咽有害
R21/22 Harmful in contact with skin and if swallowed 皮肤接触和不慎吞咽有害
R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

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。
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
P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
P302+P352+P332+P313+P362+P364
P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P305+P351+P338
P332+P313
P305+P351+P338+P337+P313
P302+P350
P337+P313

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

RTECSOO6300000

Storage condition Light Sensitive 对光敏感，避光保存。

Hazard statements

H315 Causes skin irritation 会刺激皮肤

Hazard Codes Xn

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 64,79,1940

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intramuscular
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EMSUA8 Experimental Medicine and Surgery.  (Brooklyn, NY)  V.1-29, 1943-71.
   Suspended.  Volume(issue)/page/year: 4,223,1946

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 4100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   112,53,1973

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 2 gm/kg
TOXIC EFFECTS :
   Gastrointestinal - gastritis
   Gastrointestinal - ulceration or bleeding from stomach
   Liver - other changes
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volume(issue)/page/year: 64,79,1940

其他信息

下游产品:1,2-苯二乙酸 --> DL-alpha-甲氧基苯乙酸 --> 匹莫林
用途二:用作化学试剂，也用于有机合成
Sigma Aldrich:611-72-3(sigmaaldrich)
Sigma Aldrich:90-64-2(sigmaaldrich)
上游原料:氰化钠 --> 亚硫酸氢钠 --> 苯甲醛
敏感性:Light Sensitive
方法一:1.以异丙苯法制苯酚的副产苯乙酮为原料，氯化得二氯苯乙酮，然后与稀碱反应、水解，制得扁桃酸。2.以苯甲醛为原料。将氰化钠溶于水中，加入苯甲醛，搅拌下慢慢加入亚硫酸氢钠的饱和溶液，加至一半时，加入碎冰，将析出的苯羟乙腈层从水层中分出。水层用苯萃取，蒸出苯，剩余物与苯羟乙腈层合并，加入盐酸，在冷却下水解12h。然后加热除去过量的水和盐酸，冷却，滤出氯化铵和扁桃酸的混合物。把滤液蒸干，剩余物与以上固体合并，用冷苯洗涤。再用热苯提取，提取液经冷却、结晶、过滤、干燥，即得扁桃酸，收率50-52%。3.苯-乙醛酸法。
DL-扁桃酸价格(试剂级):更新日期产品编号产品名称包装价格 2011/08/23 69015214 扁桃酸;α-羟基苯乙酸;苯基羟乙酸;苯基乙醇酸 25g 23.4元 2011/04/16 M0038 DL-扁桃酸 DL-Mandelic Acid 25G 178元 2011/04/16 M0038 DL-扁桃酸 DL-Mandelic Acid 500G 645元
TCI Shanghai:DL-扁桃酸 DL-Mandelic Acid,>;99.0%(GC)(T)(90-64-2)
MOL 文件:90-64-2.mol
用途四:锆的特殊试剂，测定铜，有机合成，杀菌剂。
图谱信息:DL-扁桃酸(611-72-3)Raman光谱 DL-扁桃酸(611-72-3)质谱(MS) DL-扁桃酸(611-72-3)红外图谱(IR2) DL-扁桃酸(611-72-3)红外图谱(IR1)
长期露光则变色分解，对石蕊呈酸性。易溶于乙醚和异丙醇，1g能溶于6.3mL水，1mL乙醇。易溶于乙醚；异丙醇，溶于乙醇和水。
存储注意事项:光敏感
图谱信息:DL-扁桃酸(90-64-2)质谱(MS) DL-扁桃酸(90-64-2)核磁图( 13 CNMR) DL-扁桃酸(90-64-2)核磁图( 1 HNMR) DL-扁桃酸(90-64-2)Raman光谱 DL-扁桃酸(90-64-2)红外图谱(IR1) DL-扁桃酸(90-64-2)红外图谱(IR2)
Alfa Aesar:(±)-扁桃酸,99% (+/-)-Mandelic acid, 99%(90-64-2)
检测方法:HPLC
用途一:用作医药原料及中间体、染料中间体等
MOL 文件:611-72-3.mol
海关编码:29181980
用途三:在医药工业可用于头孢羟唑、血管扩张药环扁桃酸酯、滴眼药羟苄唑、匹莫林等的中间体，也可作防腐剂。
上游原料:丙酮 --> 氰化钠 --> 亚硫酸氢钠 --> 苯甲醛 --> 羟基乙腈 --> alpha-氯乙酰苯 --> 苯甲酰甲酸
用途二:用作医药原料及中间体、染料中间体等
Acros Organics:DL-扁桃酸/苯基乙醇酸 DL-Mandelic acid, 99+%(90-64-2)
MSDS 信息:(+/-)-alpha-Hydroxyphenylacetic acid(611-72-3).msds
用途一:用作化学试剂，也用于有机合成