CAS 530-59-6 MFCD00004401-Sinapic acid 芥子酸(咖啡酸反式异构体) -LabNovo

Sinapic acid 芥子酸(咖啡酸反式异构体)

CAS 530-59-6 MFCD00004401

化学结构图

SMILES: COc1cc(C=CC(=O)O)cc(OC)c1O

化学属性

Mol. Formula	C11H12O5
Mol. Weight	224.21
Melting Point	191-193°C
TSCA	No
Solubility	H2O: slightly soluble ; methanol: water: soluble; polar organic solvents: soluble
Density	1.307
Appearance	powder
Boiling Point	403.4°C at 760 mmHg
Flash Point	158.6°C

别名和识别编码

Chemical Name	3,5-DIMETHOXY-4-HYDROXYCINNAMIC ACID
CAS Number	530-59-6
Synonym	Sinapinic acid {LY} Sinapinic acid cinnamic acid, 4-hydroxy-3,5-dimethoxy-, (E)- sinapic acid sinapic acid, (E)- sinapinic acid synapitic acid trans-sinapic acid trans-sinapinic acid {} {LY} Sinapinic acid {} {} {LY} Sinapinic acid {} {} {} {LY} Sinapinic acid {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Sinapinic acid {} {} {} {} {} {} {}
PubChem Substance ID	10743
EC Number	208-487-3
Beilstein Registry Number	2699118
MDL Number	MFCD00004401
Reaxys-RN	2130006
Chemical Name Translation	芥子酸(咖啡酸反式异构体)
LabNetwork Molecule ID	LN00223688
InChI	InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)
Canonical SMILES	COC1=C(O)C(OC)=CC(/C=C/C(O)=O)=C1

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分类

{SNA} Alphabetical, Analytical Standards, Analytical/Chromatography, Carum, Chromatography, Cinnamomum, Citrus, Lavandula, Life Sciences Standards, Melilotus,
Allium cepa (Onion), Allium sativum (Garlic), Armoracia rusticana (Horseradish), Berberis sp., Building Blocks, C11 to C12, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Cichorium intybus (Chicory), Linum usitatissimum (Flax), Nutrition Research, Organic Building Blocks, Phytochemicals by Plant (Food/Spice/Herb), Vaccinium macrocarpon (Cranberry)
{SNA} Allium cepa (Onion

产品应用

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安全信息

GHS Symbol

WGK Germany3

Hazard Codes Xi

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

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。
P264+P265
P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
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+P352
P304+P340
P305+P351+P338
P319
P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
P332+P313
P332+P317
P337+P317
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
P362+P364
P403+P233
P405 Store locked up. 上锁保管。
P501 Dispose of contents/container to..… 处理内容物/容器.....

Signal word Warning

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；
S37 Wear suitable gloves 戴适当手套；
S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；

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

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:3,5-二甲氧基-4-羟基苯丙烯酸,98% 3,5-Dimethoxy-4-hydroxycinnamic acid, 98%(530-59-6)
Acros Organics:3，5-二甲氧基-4-羟基肉桂酸 3,5-Dimethoxy-4-hydroxycinnamic acid, predominantly trans isomer, 98%(530-59-6)
不溶于水，溶于甲醇、乙醇和丙酮。
芥子酸价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 D1765 3,5-二甲氧基-4-羟基肉桂酸 3,5-Dimethoxy-4-hydroxycinnamic Acid 5G 759元 2014/06/02 D1765 3,5-二甲氧基-4-羟基肉桂酸 3,5-Dimethoxy-4-hydroxycinnamic Acid 25G 2370元 2014/06/02 D2932 3,5-二甲氧基-4-羟基肉桂酸[ MALDI-TOF/MS基质] 3,5-Dimethoxy-4-hydroxycinnamic Acid [Matrix for MALDI-TOF/MS] 5G 1520元
MSDS 信息:3,5-Dimethoxy-4-hydroxycinnamic acid(530-59-6).msds
TCI Shanghai:4-羟基-3,5-二甲氧基肉桂酸[基质辅助的激光解吸电离飞行时间质谱的基质] 3,5-Dimethoxy-4-hydroxycinnamic Acid [Matrix for MALDI-TOF/MS],>;99.0%(GC)(T)(530-59-6)
Hazard Note:Irritant
Sigma Aldrich:530-59-6(sigmaaldrich)
color:white
上游原料:盐酸 --> 吡啶 --> 六氢吡啶 --> 3,4,5-三甲氧基苯甲醛 --> 丙二酸单乙酯
MOL 文件:530-59-6.mol
图谱信息:芥子酸(530-59-6)红外图谱(IR1) 芥子酸(530-59-6)红外图谱(IR2) 芥子酸(530-59-6)质谱(MS)