CAS 121-98-2 MFCD00008437-Methyl Anisate 4-甲氧基苯甲酸甲酯 TAO{mole}

Methyl Anisate 4-甲氧基苯甲酸甲酯

CAS 121-98-2 MFCD00008437

化学结构图

SMILES: COC(=O)c1ccc(OC)cc1

化学属性

Mol. Formula	C9H10O3
Mol. Weight	166.17
Boiling Point	244-245°C at 760 mmHg
Melting Point	48-52°C
Flash Point	112°C
TSCA	Yes
Density	1.098
Appearance	4-甲氧基苯甲酸甲酯(121-98-2)为白色结晶，溶于乙醇、乙醚、不溶于水，熔点48°C 沸点256°C
Solubility	可溶于醇，醚；不溶于水。

别名和识别编码

Chemical Name	Methyl Anisate
CAS Number	121-98-2
Alfabeta Name	METHYLMETHOXYBENZOATE 4-
MDL Number	MFCD00008437
Synonym	Methyl anisate {LY} Methyl anisate {} {LY} Methyl anisate {} {} {LY} Methyl anisate {} {} {} {LY} Methyl anisate {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl anisate {} {} {} {} {} {} {} {} {} {} {} {} {
PubChem Substance ID	87562609
Beilstein Registry Number	2208571
EC Number	204-513-2
Reaxys-RN	2208571
Chemical Name Translation	4-甲氧基苯甲酸甲酯
Wiswesser Line Notation	1OVR DO1
LabNetwork Molecule ID	LN00173703
InChI	InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
Canonical SMILES	O=C(OC)C1=CC=C(OC)C=C1

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安全信息

Warnings IRRITANT

WGK Germany2

RTECSBZ4925000

Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Safety Statements

Signal word Warning

GHS Symbol

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

Hazard Codes Xi

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,481,1976

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 14,481,1976

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

刺激数据:皮肤-兔子 500 毫克/24小时轻度
FEMA:2679
毒性分级:低毒
Sigma Aldrich:121-98-2(sigmaaldrich)
MOL 文件:121-98-2.mol
图谱信息:4-甲氧基苯甲酸甲酯(121-98-2)红外图谱(IR2) 4-甲氧基苯甲酸甲酯(121-98-2)红外图谱(IR1) 4-甲氧基苯甲酸甲酯(121-98-2)核磁图( 13 CNMR) 4-甲氧基苯甲酸甲酯(121-98-2)质谱(MS)
灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
用途二:用于医药中间体，有机合成。
Alfa Aesar:4-甲氧基苯甲酸甲酯,98+% Methyl 4-methoxybenzoate, 98+%(121-98-2)
MSDS 信息:Methyl anisate(121-98-2).msds
类别:易燃液体
使用限量:FEMA(mg/kg)：饮判2.7；冷饮3.0；糖果8.0；焙烤制品6.2。适量为限(FDA，§172．515，2001)。
食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称允许使用该种添加剂的食品中文名称添加剂功能最大允许使用量（g/kg）最大允许残留量（g/kg）大茴香酸甲酯食品食品用香料用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
毒性:GRAS(FEMA)。
储运特性:库房通风低温干燥
急性毒性:口服-大鼠 LD50: >; 5000 毫克/公斤; 皮肤-兔子 LD50: >;5000 毫克/公斤
可燃性危险特性:可燃; 燃烧产生有刺激烟雾
TCI Shanghai:4-甲氧基苯甲酸甲酯 Methyl p-Anisate,>;99.0%(GC)(121-98-2)
参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥97% 酸值(OT-4) ≤1.0 熔点 48℃
用途一:用于医药中间体，也用于有机合成
Methyl p-anisate is a volatile compound released from Mycobacterium tuberculosis and is detected in the breath of tuberculosis patients. It is a potential biomarker for mycobacteria.
4-甲氧基苯甲酸甲酯价格(试剂级):更新日期产品编号产品名称包装价格 2014/06/02 A1125 对茴香酸甲酯 Methyl p-Anisate 500G 2420元 2014/06/02 A1125 对茴香酸甲酯 Methyl p-Anisate 25G 279元 2010/05/25 A12598 4-甲氧基苯甲酸甲酯, 98+% Methyl 4-methoxybenzoate, 98+% 25g 284元
可溶于醇，醚；不溶于水。