Methyl pyromucate - 10mM in DMSO , CAS No.611-13-2

CAS: 611-13-2 Cat. No.: M425060 分子式: C₆H₆O₃ 分子量: 126.11 Beilstein Registry Number: 111110 EC番号: 210-254-6

GRADE & PURITY 10mM in DMSO

Synonyms

FEMA 2703 | AKOS000120062 | FEMA No. 2703 | 2-furan carboxylic acid methyl ester | 2-Furancarboxylic Acid Methyl Ester | AI3-23585 | 2-Furoic acid methyl ester | Furoic acid, methyl ester | Methyl 2-furoate | Furan-.alpha.-carboxylic acid methyl ester | M

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Methyl 2-furoate has been identified as one of the volatile flavor compounds in tequila, okra, berrycactus and black currant juice.

Specifications

同義語

FEMA 2703 | AKOS000120062 | FEMA No. 2703 | 2-furan carboxylic acid methyl ester | 2-Furancarboxylic Acid Methyl Ester | AI3-23585 | 2-Furoic acid methyl ester | Furoic acid, methyl ester | Methyl 2-furoate | Furan-.alpha.-carboxylic acid methyl ester | M

仕様と純度

10mM in DMSO

保管条件

Protected from light,Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528774513
• カノニカル・スマイル: COC(=O)C1=CC=CO1
• IUPAC Name: methyl furan-2-carboxylate
• InChIKey: HDJLSECJEQSPKW-UHFFFAOYSA-N
• INCHI: 1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
• 異性体SMILES: COC(=O)C1=CC=CO1
• WGKドイツ: 3
• RTECS: LV1950000
• UN番号: 2810
• 分子量: 126.11
• Beilstein: 111110
• Reaxy-Rn: 111110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Methyl esters Heteroaromatic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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

化学的性質と物理的性質

• 感度: Light & air sensitive.
• 屈折率: 1.487
• 引火点（°F）: 163.4 °F
• 引火点（°C）: 73 °C
• 沸点（°C）: 181°C
• 分子量: 126.110 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 126.032 Da
• Monoisotopic Mass: 126.032 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 111.000
• 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