CAS 498-02-2 MFCD00008747-Acetovanillone 4-羟基-3-甲氧基苯乙酮 -LabNovo

Acetovanillone 4-羟基-3-甲氧基苯乙酮

CAS 498-02-2 MFCD00008747

化学结构图

SMILES: COc1cc(C(C)=O)ccc1O

化学属性

Mol. Formula	C9H10O3
Mol. Weight	166.17
Density	1.422
Boiling Point	297.5°C at 760 mmHg
Melting Point	112-115°C
TSCA	Yes
Solubility	溶于热水
Flash Point	113°C
Appearance	白色结晶性粉末。

别名和识别编码

Chemical Name	Acetovanillone
CAS Number	498-02-2
Synonym	Apocynin {LY} Apocynin {} {LY} Apocynin {} {} {LY} Apocynin {} {} {} {LY} Apocynin {} {} {} {} {LY} Apocynin {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {}
MDL Number	MFCD00008747
EC Number	207-854-5
Beilstein Registry Number	637373
PubChem Substance ID	2214
Merck Number	741
Reaxys-RN	637373
Chemical Name Translation	4-羟基-3-甲氧基苯乙酮
Wiswesser Line Notation	1VR DQ CO1
LabNetwork Molecule ID	LN00224835
InChI	InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
Canonical SMILES	CC(C1=CC=C(O)C(OC)=C1)=O

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产品应用

An inhibitor of NADPH oxidase (an enzyme responsible for reactive oxygen species production) and is useful in the treatment of various inflammatory diseases.

安全信息

Signal word Warning

GHS Symbol

WGK Germany2

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

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
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

Hazard statements

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 dust mask type N95 (US), Eyeshields, Gloves

RTECSAM8800000

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 7,178,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCTKAG Bromatologia i Chemia Toksykologiczna.  (Ars Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.4-    1971-  Volume(issue)/page/year: 14,301,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 400 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 119,273,1983

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

图谱信息:4-羟基-3-甲氧基苯乙酮(498-02-2)核磁图( 1 HNMR) 4-羟基-3-甲氧基苯乙酮(498-02-2)红外图谱(IR2) 4-羟基-3-甲氧基苯乙酮(498-02-2)核磁图( 13 CNMR) 4-羟基-3-甲氧基苯乙酮(498-02-2)红外图谱(IR1) 4-羟基-3-甲氧基苯乙酮(498-02-2)质谱(MS)
Acros Organics:乙酰香草酮 Acetovanillone, 98%(498-02-2)
海关编码:29145000
4-羟基-3-甲氧基苯乙酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 H0261 4'-羟基-3'-甲氧基苯乙酮 4'-Hydroxy-3'-methoxyacetophenone 25G 182元 2014/06/02 H0261 4'-羟基-3'-甲氧基苯乙酮 4'-Hydroxy-3'-methoxyacetophenone 500G 1500元 2010/06/21 102421000 4-羟基-3-甲氧基苯乙酮 Acetovanillone 98% 100 GR 772元
Alfa Aesar:4'-羟基-3-甲氧基苯乙酮,98% 4'-Hydroxy-3'-methoxyacetophenone, 98%(498-02-2)
MSDS 信息:4'-Hydroxy-3'-methoxyacetophenone(498-02-2).msds
MOL 文件:498-02-2.mol
下游产品:乙酰丙酮
Sigma Aldrich:498-02-2(sigmaaldrich)
TCI Shanghai:4'-羟基-3'-甲氧基苯乙酮 4'-Hydroxy-3'-methoxyacetophenone,>;98.0%(GC)(498-02-2)
检测方法:GC,NMR
用途一:用作有机合成中间体