2-Methoxybenzoic acid - ≥99% , CAS No.579-75-9

CAS: 579-75-9 Cat. No.: M104362 분자식: C₈H₈O₃ 분자량: 152.15 Beilstein Registry Number: 509929 EC 번호: 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

Normal

개요

It was added as carbon supplement in the culture medium of Moraxella osloensis. Photophysics of 2-methoxybenzoic acid has been investigated using both the time-correlated single photon counting and the fluorescence up-conversion techniques.
It was used as internal standard during quantification of free and conjugated salicylic acid in tomato (Lycopersicon esculentum) cells by HPLC. It was also employed in the synthesis of pthalides.

Specifications

동의어

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 |

사양 및 순도

≥99%

보관 조건

Room temperature

배송

Normal

순수함

≥99%

이름과 식별자

• Pubchem Sid: 504752112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752112
• 정식 스마일: 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)
• 이성체 SMILES: COC1=CC=CC=C1C(=O)O
• WGK 독일: 3
• RTECS: BZ4385000
• 대체 CAS: 529-75-9
• 분자량: 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
    • 분류 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
• 분류: 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
• 설명: 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solubility in water: 15 g/L (20°C)
• 감도: Moisture sensitive.
• 끓는점(°C): 200°C
• 녹는점(°C): 110°C
• 분자량: 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

참고 문헌

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]