CAS 94-53-1 MFCD00005830-Piperonylic acid 胡椒酸 -LabNovo

Piperonylic acid 胡椒酸

CAS 94-53-1 MFCD00005830

化学结构图

SMILES: O=C(O)c1ccc2c(c1)OCO2

化学属性

Mol. Formula	C8H6O4
Mol. Weight	166.13
Melting Point	229-231°C
Density	1.422
TSCA	Yes
Solubility	略溶于水
Appearance	白色棱状或针状结晶。熔点229℃。微溶于水、氯仿、冷乙醇、乙醚。
Boiling Point	254.32 °C at 760 mmHg

别名和识别编码

Chemical Name	Piperonylic acid
Synonym	Piperonylic acid {LY} Piperonylic acid {} {LY} Piperonylic acid {} {} {LY} Piperonylic acid {} {} {} {LY} Piperonylic acid {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Piperonylic acid {} {} {} {} {} {
CAS Number	94-53-1
PubChem Substance ID	7196
EC Number	202-342-8
Beilstein Registry Number	150206
MDL Number	MFCD00005830
Reaxys-RN	150206
Merck Number	7477
Alfabeta Name	PIPERONYLICACID
Chemical Name Translation	胡椒酸
LabNetwork Molecule ID	LN00008623
InChI	InChI=1S/C8H6O4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2,(H,9,10)
Canonical SMILES	O=C(C1=CC=C(OCO2)C2=C1)O

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安全信息

GHS Symbol

WGK Germany3

Hazard Codes Xn Xn,Xi

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H318 Causes serious eye damage 严重伤害眼睛
H302 Harmful if swallowed 吞食有害
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves

RTECSDF4912765

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 Danger

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

R22 Harmful if swallowed 吞咽有害
R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R37/38 Irritating to respiratory system and skin 对呼吸系统和皮肤有刺激性
R41 Risk of serious damage to eyes 有严重损伤眼睛的危险

Warnings IRRITANT

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >800 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 196,478,1976

Storage condition 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°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

Alfa Aesar:胡椒酸,98+% Piperonylic acid, 98+%(94-53-1)
图谱信息:胡椒酸(94-53-1)Raman光谱胡椒酸(94-53-1)核磁图( 13 CNMR) 胡椒酸(94-53-1)质谱(MS) 胡椒酸(94-53-1)红外图谱(IR2) 胡椒酸(94-53-1)红外图谱(IR1) 胡椒酸(94-53-1)核磁图( 1 HNMR)
检测方法:HPLC,NMR
MOL 文件:94-53-1.mol
Acros Organics:胡椒基酸 Piperonylic acid, 99%(94-53-1)
上游原料:氢氧化钾 --> 高锰酸钾 --> 胡椒醛
MSDS 信息:Piperonylic acid(94-53-1).msds
用途一:有机合成中间体。
TCI Shanghai:3,4-亚甲二氧基苯甲酸 Piperonylic Acid,>;98.0%(GC)(T)(94-53-1)
海关编码:29329970
胡椒酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 P0459 胡椒酸 Piperonylic Acid 25G 720元 2010/06/21 131371000 胡椒酸 Piperonylic acid 99% 100 GR 3651元 2010/06/21 131370250 胡椒酸 Piperonylic acid 99% 25 GR 2045元
Sigma Aldrich:94-53-1(sigmaaldrich)
方法一:胡椒醛用高锰酸钾在70-80℃氧化，以90-96%的产率得到胡椒基酸。
Hazard Note:Irritant