CAS 5436-21-5 MFCD00008789-4,4-Dimethoxy-2-butanone 乙酰基乙醛缩二甲醇 -LabNovo

4,4-Dimethoxy-2-butanone 乙酰基乙醛缩二甲醇

CAS 5436-21-5 MFCD00008789

化学结构图

SMILES: COC(CC(C)=O)OC

化学属性

Mol. Formula	C6H12O3
Mol. Weight	132.16
Density	0.996
Refractive index	1.4140 to 1.4170
Boiling Point	172.1°C at 760 mmHg
Flash Point	57°C
TSCA	Yes
Melting Point	-82°C
Solubility	分解
pH	:A

别名和识别编码

Chemical Name	4,4-Dimethoxy-2-butanone
CAS Number	5436-21-5
Alfabeta Name	DIMETHOXYBUTANONE 442---,
MDL Number	MFCD00008789
Synonym	4,4-Dimethoxy-2-butanone {LY} 4,4-Dimethoxy-2-butanone {} {LY} 4,4-Dimethoxy-2-butanone {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4,4-Dimethoxy-2-butanone {} {} {} {} {} {} {} {} {} {}
EC Number	226-605-1
Beilstein Registry Number	1702372
PubChem Substance ID	228548
Chemical Name Translation	乙酰基乙醛缩二甲醇
Reaxys-RN	1702372
LabNetwork Molecule ID	LN00176712
InChI	InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
Canonical SMILES	CC(CC(OC)OC)=O

信息真实价格透明资金保障专业采购外包团队在线服务

品牌质保精细包装现货库存一流品牌服务

安全信息

Warnings IRRITANT

Signal word Warning

GHS Symbol

WGK Germany2

Safety Statements

S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；

Risk Statements

R10 Flammable 易燃
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

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。
P211 Do not spray on an open flame or other ignition source.? 不要喷洒在明火或其他点火源。
P233 Keep container tightly closed. ?保持容器密闭。
P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
P241+P242+P243
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。
P303+P361+P353
P370+P378
P403+P235
P501 Dispose of contents/container to..… 处理内容物/容器.....

Hazard statements

H226 Flammable liquid and vapour 易燃液体和蒸气

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

RTECSEL7592500

Packing GroupIII

UN Number 1224 1989

Hazard Codes 3

Hazard Class3

Storage condition 2-8°C {LY} 2-8°C Flammables area {} {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

参考质量标准:FAO/WHO，1999 含量(GT-10-4) ≥96% 折射率(n D 20 ) 1.414～1.424 相对密度(n D 20 ) 0.993~0.998
MSDS 信息:KBA(5436-21-5).msds
海关编码:29145000
4,4-二甲氧基-2-丁酮价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D1157 1,1-二甲氧基-3-丁酮 1,1-Dimethoxy-3-butanone 500ML 1500元 2014/06/02 D1157 1,1-二甲氧基-3-丁酮 1,1-Dimethoxy-3-butanone 25ML 209元 2010/06/21 292330010 4,4-二甲氧基-2-丁酮 Acetylacetaldehyde dimethyl acetal 92% 1 LT 3850元
毒性:GRAS(FEMA)。
用途一:主要用作医药、农药中间体
FEMA:3381
下游产品:5-甲基-1H-吡咯-2-甲酸乙酯 --> 反-1-甲氧基-3-(三甲基硅氧基)-1,3-丁二烯 --> 3-甲基-2-糠酸 --> 3-甲基-2-呋喃甲酸甲酯 --> 4-甲氧基-3-丁烯-2-酮 --> 5-甲基-4-异恶唑磺酰氯 --> 4-甲基-2-甲硫基嘧啶 --> 3-甲基-1-苯基吡啶
Sigma Aldrich:5436-21-5(sigmaaldrich)
MOL 文件:5436-21-5.mol
使用限量:FEMA(mg/kg)：冷饮、糖果、凝胶制品和布丁、蜜饯，80；焙烤制品160；调味品500；肉制品、汤品、蔬菜制品，2000。
Acros Organics:乙酰乙醛二甲缩醛 Acetylacetaldehyde dimethyl acetal, 95%(5436-21-5)
Alfa Aesar:乙酰乙醛,90+% Acetylacetaldehyde dimethyl acetal, 90+%(5436-21-5)
一种重要的精细化工产品:4，4-二甲氧基-2-丁酮是一种重要的精细化工产品，又叫乙酰乙醛缩二甲醇，室温下为无色或淡黄液体，可用于合成2-氯-3-氨基-4-甲基吡啶、3-羟基异戊醛缩二甲醇、2-巯基-4-甲基嘧啶等医药农药中间体。实验室里以金属钠为原料，甲醇为溶剂，先制成甲醇钠的饱和甲醇溶液，再滴加丙酮和甲酸甲酯进行Claisen酯缩合制得丁酮烯醇钠，最后在强酸作用下与甲醇进行缩醛化反应合成了4，4-二甲氧基-2-丁酮，过程总收率达到73.19%，纯度98.7%。
方法一:由丙酮经缩合、加成而得。
检测方法:GC,NMR
用途二:医药磺胺甲基嘧啶的中间体。
TCI Shanghai:4,4-二甲氧基-2-丁酮 1,1-Dimethoxy-3-butanone,>;90.0%(GC)(5436-21-5)