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Product details

名称

茴香酸甲酯

分子类型

小分子

别名

对甲氧基苯甲酸甲酯 | 4-甲氧基苯甲酸甲酯

英文别名

AC7521 | Methyl p-anisate, >=99% (capillary GC) | anisate | AQ-917/40232598 | Q6823933 | bmse010016 | Tox21_302682 | FEMA 2679 | CHEBI:86903 | METHYL 4-METHOXYBENZOATE | SY003911 | NSC 7324 | AM20050128 | Methyl-p-anisate | NSC7324 | NSC-7324 | InChI=1/C9

英文名称

Methyl p-anisate

货号

M117669-100g

包装规格

100g

浓度

≥99%

运输条件

常规运输

产品介绍

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. 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.

应用

Methyl p-anisate has been used as a standard for the quantification of odorant compounds in French mimosa absolute oil by GC-Sniffing

CAS号

121-98-2

分子式

C9H10O3

分子量

166.17 g/mol

Beilstein号

2208571

EC号

204-513-2

MDL号

MFCD00008437

PubChem编号

8499

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC

IIUPAC Name

methyl 4-methoxybenzoate

INCHI

1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3

InChi Key

DDIZAANNODHTRB-UHFFFAOYSA-N

Smiles

COC1=CC=C(C=C1)C(=O)OC

PubChem SID

488180819

溶解性

可溶于醇，醚；不溶于水。

熔点

48-52°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

166.063 Da

单同位素质量Monoisotopic Mass

166.063 Da

拓扑极表面积Topological Polar Surface Area

35.500 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

148.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

2.300

密度

1.098

闪点(℃)

112 °C

沸点

244-245°C

Reaxy-Rn

2208571

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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