4-Methoxybenzoic acid - Melting point standard, used for This product is an analytical standard and used for melting point calibration. various applications , CAS No.100-09-4

CAS: 100-09-4 Cat. No.: M119543 Formula: C₈H₈O₃ Peso molecolare: 152.15 Beilstein Registry Number: 508910 Numero EC: 202-818-5

GRADE & PURITY Melting point standard

Synonyms

4-METHOXYBENZOIC ACID | p-Anisic acid | p-Methoxybenzoic acid | Draconic acid

Storage

Room temperature

Shipped In

Normal

Panoramica

The melting point standard for p-anisic acid is 182-184℃, which can be used for the identification or purity determination of substances through conventional identification methods. Its melting point value is the average of 6 to 12 measurements obtained using a Büchi B-545 melting point apparatus, which has been calibrated using primary standard materials.

Features and Advantages: 

Melting point determined by thermodynamic analysis method 

Standard deviation up to ±0.3 °C

Specifications

Sinonimi

4-METHOXYBENZOIC ACID | p-Anisic acid | p-Methoxybenzoic acid | Draconic acid

Specifiche e purezza

Melting point standard

Applicazione

This product is an analytical standard and used for melting point calibration.

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Nomi e identificatori

• Pubchem Sid: 504751357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751357
• Sorrisi canonici: COC1=CC=C(C=C1)C(=O)O
• IUPAC Name: 4-methoxybenzoic acid
• InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
• Isomeri SMILES: COC1=CC=C(C=C1)C(=O)O
• WGK Germania: 1
• RTECS: BZ4395000
• Peso molecolare: 152.15
• Beilstein: 508910
• Reaxy-Rn: 508910
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508910&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Methoxybenzoic acids and derivatives
          • Level6 P-methoxybenzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Methoxybenzoic acids and derivatives
• Direct Parent: P-methoxybenzoic acids and derivatives
• Alternative Parents: Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-methoxybenzoic acid or derivatives - Benzoic acid - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
• External Descriptors: methoxybenzoic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°C): 185℃
• Punto di ebollizione (°C): 275-280°C
• Punto di fusione (°C): 184°C
• Peso molecolare: 152.150 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Yingying Liu, Xue Wang, Danyang Zhang, Chen Wang, Haijiao Xie, Hongping Chen, Yunfeng Chai.  (2023)  Does deprotonated benzoic acid lose carbon monoxide in collision-induced dissociation?.  JOURNAL OF MASS SPECTROMETRY,  59  (1): (e4990).  [PMID:38146124] [10.1002/jms.4990]

2. Yunfeng Ma, Longxia Li, Liufang Mo, Xiaochen Wang, Chenyue Liu, Yijun Wu, Chaoqun Liu.  (2023)  Preparation and anti-tumor effects of mesoporous silica nanoparticles loaded with trifluoperazine.  Journal of Materials Chemistry B,  11  (43): (10395-10403).  [PMID:37876312] [10.1039/D3TB01472J]

3. Meng Liu, Zhe-Yong Chen, Xiao-Hang He, Xing-Yu Liu, Hui-Ling Hu, Huan Tian, Yi Liu, Feng-Lei Jiang.  (2023)  Thermodynamics of Ligand Exchange with Aromatic Ligands on the Surface of CdSe Quantum Dots.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.2c02651]

4. Yue Zhou, Lei Xu, Zhangding Wang, Hongwen Liu, Xiang Zhang, Chuanjun Shu, Meng Zhang, Ting Wang, Xinyun Xu, Xiaohong Pu, Jian He, Pin Wang, Yudong Qiu, Guifang Xu, Xiaoping Zou, Yun Zhu, Lei Wang.  (2022)  Sequentially targeting and intervening mutual Polo-like Kinase 1 on CAFs and tumor cells by dual targeting nano-platform for cholangiocarcinoma treatment.  Theranostics,      [PMID:35664077] [10.7150/thno.70557]

5. Jieqiong Lv, Runcheng Liang, Zihua Xia, Yong Li, Zhufen Lv, Dongzhi Hou, Liping Yu, Gang Chen, Yi Liu, Fan Yang.  (2019)  Synthesis and characterization of amphiphilic star-shaped copolymers based on β-cyclodextrin for micelles drug delivery.  DRUG DEVELOPMENT AND INDUSTRIAL PHARMACY,      [PMID:30922119] [10.1080/03639045.2019.1593437]

6. Bo Chen, Jie Zhou, Qilu Meng, Yang Zhang, Shihua Zhang, Liang Zhang.  (2018)  Comparative analysis of fecal phenolic content between normal and obese rats after oral administration of tea polyphenols.  Food & Function,  9  (9): (4858-4864).  [PMID:30156246] [10.1039/C8FO00609A]

7. Hongyue Guo, Renhua Liu, Jinjin Yang, Bingcheng Yang, Xinmiao Liang, Changhu Chu.  (2011)  A novel click lysine zwitterionic stationary phase for hydrophilic interaction liquid chromatography.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:22226552] [10.1016/j.chroma.2011.12.033]

8. Jinwei Tian, Yao Wei, Chengwei Lü.  (2025)  1,3,4-Thiadiazole and quinolinone based multifunctional probes for fluorescence turn-on and colorimetric monitoring of Al3+ and Fe3+ in food and aqueous environment applications.  FOOD CHEMISTRY,      [PMID:41485311] [10.1016/j.foodchem.2025.147792]