acido 2-metossibenzoico - ≥99% , CAS No.579-75-9

CAS: 579-75-9 Cat. No.: M104362 Formula: C₈H₈O₃ Peso molecolare: 152.15 Beilstein Registry Number: 509929 Numero EC: 209-447-8

GRADE & PURITY ≥99%

Synonyms

BENZOIC ACID,2-METHOXY | FT-0612820 | Z57127524 | 2-METHOXYBENZOIC ACID [FHFI] | o-Methoxybenzoic acid | 2-Anisic acid | AB2883 | o-Anisic Acid; 2-Methoxybenzoic Acid; NSC 3778; O-Methylsalicylic Acid; Salicylic Acid Methyl Ether; o-Methoxybenzoic Acid |

Storage

Room temperature

Shipped In

Normale

Panoramica

È stato aggiunto come supplemento di carbonio nel terreno di coltura di Moraxella osloensis. La fotofisica dell'acido 2-metossibenzoico è stata studiata utilizzando sia la tecnica del conteggio dei singoli fotoni correlato al tempo sia quella della conversione di fluorescenza.
È stato utilizzato come standard interno durante la quantificazione dell'acido salicilico libero e coniugato in cellule di pomodoro (Lycopersicon esculentum) mediante HPLC. È stato inoltre impiegato nella sintesi di ftalidi.

Specifications

Sinonimi

BENZOIC ACID,2-METHOXY | FT-0612820 | Z57127524 | 2-METHOXYBENZOIC ACID [FHFI] | o-Methoxybenzoic acid | 2-Anisic acid | AB2883 | o-Anisic Acid; 2-Methoxybenzoic Acid; NSC 3778; O-Methylsalicylic Acid; Salicylic Acid Methyl Ether; o-Methoxybenzoic Acid |

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 504752112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752112
• Sorrisi canonici: COC1=CC=CC=C1C(=O)O
• IUPAC Name: 2-methoxybenzoic acid
• InChIKey: ILUJQPXNXACGAN-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
• Isomeri SMILES: COC1=CC=CC=C1C(=O)O
• WGK Germania: 3
• RTECS: BZ4385000
• CAS alternativo: 529-75-9
• Peso molecolare: 152.15
• Beilstein: 509929
• Reaxy-Rn: 509929
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=509929&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 O-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: O-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: O-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 - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as o-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 2 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

Obiettivi associati (umani)

PIK3R1 Tchem PI3-kinase p110-alpha/p85-alpha (2589 Activities)

Discover Target: PIK3R1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

PIK3CA PI3-kinase p110-alpha subunit (51 Activities)

Discover Target: PIK3CA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: 15 g/L (20°C)
• Sensibilità: Moisture sensitive.
• Punto di ebollizione (°C): 200°C
• Punto di fusione (°C): 110°C
• Peso molecolare: 152.150 g/mol
• XLogP3: 1.600
• 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: 144.000
• 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. Luo lixia, Ye ying, Wang hong, Liu zhe, Li Jiqian.  (2023)  Rapid detection of Ag+ in food using cholesteric chiral artificial receptor L5.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2023.108633]

2. Guangying Sun, Zheng Zhang, Liying Yang, Jianming Jiang, Wu Yao, Le Pan, Long Chen, Changjiang Li, Zhaosheng Liu.  (2023)  Optimizing the preparative capacity of two-dimensional liquid chromatography based on analytes retention behaviors.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:36641939] [10.1016/j.chroma.2023.463786]

3. Wei Zhong, Li Wu, Weidong Jiang, Yulong Li, Natarajan Mookan, Xiaoming Liu.  (2019)  Proton-coupled electron transfer in the reduction of diiron hexacarbonyl complexes and its enhancement on the electrocatalytic reduction of protons by a pendant basic group.  DALTON TRANSACTIONS,  48  (36): (13711-13718).  [PMID:31469134] [10.1039/C9DT02058F]

4. Yan-Jing Gu, Bing Yan.  (2015)  Eu3+/Sm3+ hybrids based with 8-hydroxybenz[de]anthracen-7-one organically modified mesoporous silica SBA-15/16.  SOLID STATE SCIENCES,      [PMID:] [10.1016/j.solidstatesciences.2015.09.015]

5. Sun-Yan Liang, Si Yang, Ke-Xin Ding, Yue Xu, Zi-Yu Zhao, Yan-Zhu Yu, Yi-Xin Huang, Sheng Qin, Ke Xing.  (2024)  2-Methylbutyric acid functions as a potential antifungal fumigant by inhibiting Botrytis cinerea and inducing resistance to gray mold in cherry tomatoes.  POSTHARVEST BIOLOGY AND TECHNOLOGY,      [PMID:] [10.1016/j.postharvbio.2024.113343]

6. Yuandong Yu, Guizhao Liang.  (2021)  Interaction mechanism of phenolic acids and zein: A spectrofluorometric and molecular dynamics investigation.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2021.118032]

7. Miao Hu, Yaxin Gao, Weimin Meng, Pengfei Zhang, Jiao Wang, Zifan Yuan, Bei Fan, Fengzhong Wang, Shuying Li.  (2025)  Controlled release mechanism of off-flavor compounds in Bacillus subtilis BSNK-5 fermented soymilk and flavor improvement by phenolic compounds.  FOOD RESEARCH INTERNATIONAL,      [PMID:40086980] [10.1016/j.foodres.2025.116028]

8. Zhao Jing-yi, Gao Fan, Wu Mengru, Li Yang, Chen Yong, Xiao Zijun.  (2025)  Microbial synthesis of enantiopure (S)-2-methylbutanoic acid via L-isoleucine catabolism in Bacillus spizizenii.  WORLD JOURNAL OF MICROBIOLOGY & BIOTECHNOLOGY,  41  (4): (1-15).  [PMID:40148725] [10.1007/s11274-025-04324-8]