CAS 498-24-8 MFCD00002653-2-Methylfumaric Acid 2-甲基富马酸 TAO{mole}

2-Methylfumaric Acid 2-甲基富马酸

CAS 498-24-8 MFCD00002653

化学结构图

SMILES: C/C(=C\C(O)=O)/C(O)=O

化学属性

Mol. Formula	C5H6O4
Mol. Weight	130.10
Melting Point	200-202 °C
Appearance	无色斜方针状结晶或单斜片状。熔点204-205℃，沸点250℃（分解）。100g水在18℃时能溶解该品2.7g，沸水为117.9g。90%乙醇在17℃时每100g能溶解该品30.6g，沸点时为95.7g。溶于醚，难溶于氯仿和二硫化碳。
Boiling Point	250 °C at 760 mmHg

别名和识别编码

Chemical Name	2-Methylfumaric Acid
Synonym	Mesaconic acid {LY} Mesaconic acid {} {LY} Mesaconic acid {} {} {LY} Mesaconic acid {} {} {} {LY} Mesaconic acid {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Mesaconic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {}
MDL Number	MFCD00002653
CAS Number	498-24-8
PubChem Substance ID	24847989
EC Number	207-859-2
Beilstein Registry Number	1722680
Reaxys-RN	1722680
Merck Number	5903
Chemical Name Translation	2-甲基富马酸
Wiswesser Line Notation	QVY1&U1VQ -T
LabNetwork Molecule ID	LN01291403
Canonical SMILES	C/C(C(O)=O)=C\C(O)=O

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安全信息

GHS Symbol

WGK Germany3

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

RTECSOX5075000

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
P332+P313
P305+P351+P338+P337+P313
P302+P350
P337+P313
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

Signal word Warning

Hazard Codes Xi

Safety Statements

S36 Wear suitable protective clothing 穿戴适当的防护服；
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；

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

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CBCCT* "Summary Tables of Biological Tests," National Research Council
   Chemical-Biological Coordination Center.  (National Academy of Science
   Library, 2101 Constitution Ave., NW, Washington, DC 20418)
   Volume(issue)/page/year: 6,147,1954

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

用途一:用于有机合成。
图谱信息:中康酸(498-24-8)质谱(MS) 中康酸(498-24-8)红外图谱(IR1) 中康酸(498-24-8)红外图谱(IR2)
中康酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 M0066 中康酸 Mesaconic Acid 5G 467元
上游原料:硝酸 --> 顺丁烯二酐
方法一:将100g（0.89mol）甲基顺丁烯二酐、100ml水和150ml稀硝酸的混合物蒸发至出现红烟，将溶液冷却，滤出甲基富马酸，将母液继续浓缩、过滤，又得少量产物。所得粗品甲基富马酸用来重结晶，得产品50-60g，收率43%-52%。
MOL 文件:498-24-8.mol
Sigma Aldrich:498-24-8(sigmaaldrich)
TCI Shanghai:中康酸 Mesaconic Acid,>;98.0%(T)(498-24-8)