CAS 621-54-5 MFCD00016554-3-(3-HYDROXYPHENYL)PROPIONIC ACID 3-(3-羟基苯基)丙酸 -LabNovo

3-(3-HYDROXYPHENYL)PROPIONIC ACID 3-(3-羟基苯基)丙酸

CAS 621-54-5 MFCD00016554

化学结构图

SMILES: O=C(O)CCc1cccc(O)c1

化学属性

Mol. Formula	C9H10O3
Mol. Weight	166.17
Density	1.422
Melting Point	111°C
TSCA	No
Appearance	类白色至白色结晶。
Boiling Point	354.5°C at 760 mmHg

别名和识别编码

Chemical Name	3-(3-HYDROXYPHENYL)PROPIONIC ACID
MDL Number	MFCD00016554
CAS Number	621-54-5
EC Number	210-692-8
Beilstein Registry Number	1947445
Synonym	3-(3-Hydroxyphenyl)propionic acid {LY} 3-(3-Hydroxyphenyl)propionic acid {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 3-(3-Hydroxyphenyl)propionic acid {} {} {} {} {} {}
Chemical Name Translation	3-(3-羟基苯基)丙酸
LabNetwork Molecule ID	LN00220816
PubChem Substance ID	91
InChI	InChI=1S/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
Canonical SMILES	O=C(O)CCC1=CC=CC(O)=C1

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安全信息

Signal word Warning

GHS Symbol

WGK Germany3

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；

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。
P305+P351+P338

RTECSMW5340000

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >2 gm/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 24,325,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 308 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Nutritional and Gross Metabolic - body temperature decrease
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 24,325,1982

Storage condition 2-8°C {LY} 2-8°C Store at room temperature {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°

其他信息

MOL 文件:621-54-5.mol
下游产品:DL-间酪氨酸
图谱信息:3-(3-羟基苯基)丙酸 (621-54-5)红外图谱(IR2) 3-(3-羟基苯基)丙酸 (621-54-5)红外图谱(IR1) 3-(3-羟基苯基)丙酸 (621-54-5)质谱(MS)
Alfa Aesar:3-(3-羟基苯基)丙酸,98+% 3-(3-Hydroxyphenyl)propionic acid, 98+%(621-54-5)
上游原料:乙醇 --> 盐酸 --> 乙醚 --> 苯 --> 吡啶 --> 钯 --> 氢 --> 六氢吡啶 --> 丙二酸 --> 1,4-氧氮六环 --> 间羟基苯甲醛