4-Methoxymandelic acid - ≥98%(HPLC) , CAS No.10502-44-0

CAS: 10502-44-0 Cat. No.: M137967 Summenformel: CH₃OC₆H₄CH(OH)CO₂H Molekulargewicht: 182.17 EG-Nummer: 234-031-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

4-Methoxymandelic acid, 98% | FT-0618942 | FT-0687280 | Z788000802 | SY017551 | LOMEFLOXACIN HYDROCHLORIDE [USAN] | AS-12062 | FD1310 | 2-hydroxy-2-(4-methoxyphenyl)acetic acid | EN300-1696253 | MFCD00754498 | MFCD00798434 | M2278 | DL-4-METHOXYMANDELIC A

Storage

Room temperature

Shipped In

Normal

Übersicht

Chiral separation of the enantiomers of 4-methoxymandelic acid has been reported by a new liquid chromatographic method. The mechanism of veratryl alcohol-mediated oxidation of 4-methoxymandelic acid by lignin peroxidase has been studied by kinetic methods.

Specifications

Synonyme

4-Methoxymandelic acid, 98% | FT-0618942 | FT-0687280 | Z788000802 | SY017551 | LOMEFLOXACIN HYDROCHLORIDE [USAN] | AS-12062 | FD1310 | 2-hydroxy-2-(4-methoxyphenyl)acetic acid | EN300-1696253 | MFCD00754498 | MFCD00798434 | M2278 | DL-4-METHOXYMANDELIC A

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488187475
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187475
• Kanonisches Lächeln: COC1=CC=C(C=C1)C(C(=O)O)O
• IUPAC Name: 2-hydroxy-2-(4-methoxyphenyl)acetic acid
• InChIKey: ITECRQOOEQWFPE-UHFFFAOYSA-N
• INCHI: 1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)
• Isomere SMILES: COC1=CC=C(C=C1)C(C(=O)O)O
• WGK Deutschland: 3
• Molekulargewicht: 182.17
• Reaxy-Rn: 2212169
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212169&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Aromatic alcohol - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: Not available

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water
• Schmelzpunkt (°C): 107 °C
• Molekulargewicht: 182.170 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referenzen

1. Xin Yuan, Yu Liu, Fan Cao, Panliang Zhang, Jian Ou, Kewen Tang.  (2020)  Immobilization of lipase onto metal–organic frameworks for enantioselective hydrolysis and transesterification.  AICHE JOURNAL,  66  (9): (e16292).  [PMID:] [10.1002/aic.16292]

2. Ku-Ku Hao, Qi-Jin Wang, Sheng-Xiang Wei, Hua-Yang Si, Jing-Wen Hao, Nai-Fu Chen, Nai-Dong Chen, Xiao-Yan Gao, Si-Jie Liao, Shao-Jun Zheng, Man-Man Zhang.  (2025)  Structural characterization and anti-inflammatory activity of a neutral polysaccharide from Dendrobium huoshanense C. Z. Tang et S. J. Cheng.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:39890001] [10.1016/j.ijbiomac.2025.140339]

3. Nanqi Cheng, Na Gao, Pin Wang, Yujun Ma, Pengfei Li, Xiaolu Wu, Jiaying Sun, Yulan Dai, Jinhua Zhao.  (2025)  Structure identification and biological activity of a novel sulfated glycosaminoglycan-like polysaccharide from Sepia recurvirostra ink.  CARBOHYDRATE POLYMERS,      [PMID:40158962] [10.1016/j.carbpol.2025.123415]

4. Sheng-qi Jiang, Yu-yang Chai, Shu fang Ma, Junlong Wang, Wen-pan Shi, Peng peng He, Juan xia Pang, Yong gang Lin.  (2025)  Ultrasound-assisted ionic liquid extraction of polysaccharides from Crataegus songarica K. Koch fruits: Structural characterization and Antioxidant Activity.  CHEMISTRY & BIODIVERSITY,      [PMID:39744993] [10.1002/cbdv.202402386]

5. Wei Zong, Zijing Liu, Haiyan Lan, Jianwei Yang, Yuxuan Xia, Zhongsheng Xu, Li Mai, Jie Wang, Yixi Bao.  (2025)  Structural characterization of a pectin polysaccharide from Phyllanthus emblica fruits and their antitumor effect via macrophage polarization in the cold immune microenvironment.  CARBOHYDRATE POLYMERS,      [PMID:40973298] [10.1016/j.carbpol.2025.124287]

6. Bingquan Chu, Weiyi Jin, Cheng Feng, Xiaohua Cui, Lin Gan, Guanghua He, Gongnian Xiao, Genxiang Mao.  (2025)  Effects of steam explosion pretreatment at different severity factors on the structure, chemical composition, and digestive properties of Dendrobium officinale (Tiepishihu) polysaccharides.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2025.118271]

7. Huaqun Chen, Wennian Li, Chunyu Xiao, Xiaotao Hou, Kefeng Wu, Longyan Zhao, Qingxia Yuan.  (2025)  Structural characteristics of two pectic polysaccharides from Avicennia marina fruit.  CARBOHYDRATE RESEARCH,      [PMID:41027270] [10.1016/j.carres.2025.109679]

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 10502-44-0, the molecular formula is C9H10O4, and the molecular weight is 182.17 g/mol. InChIKey ITECRQOOEQWFPE-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.