1-Methoxynaphthalene - ≥98% , CAS No.2216-69-5

CAS: 2216-69-5 Cat. No.: M107755 Formula: C₁₀H₇OCH₃ Peso molecolare: 158.2 Beilstein Registry Number: 774884 Numero EC: 218-696-1

GRADE & PURITY ≥98%

Synonyms

1-methoxy naphthalene | 1-Methoxynaphthalene, analytical standard | .alpha.-Methoxynaphthalene | 1-Methoxynaphthalene, >=98% | EINECS 218-696-1 | Naphthalene, 1-methoxy- | 1-Naphthol methyl ether;Naphthalene, 1-methoxy- | alpha-Methoxynaphthalene | 1-Naph

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinonimi

1-methoxy naphthalene | 1-Methoxynaphthalene, analytical standard | .alpha.-Methoxynaphthalene | 1-Methoxynaphthalene, >=98% | EINECS 218-696-1 | Naphthalene, 1-methoxy- | 1-Naphthol methyl ether;Naphthalene, 1-methoxy- | alpha-Methoxynaphthalene | 1-Naph

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488182275
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182275
• Sorrisi canonici: COC1=CC=CC2=CC=CC=C21
• IUPAC Name: 1-methoxynaphthalene
• InChIKey: NQMUGNMMFTYOHK-UHFFFAOYSA-N
• INCHI: 1S/C11H10O/c1-12-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3
• Isomeri SMILES: COC1=CC=CC2=CC=CC=C21
• WGK Germania: 3
• RTECS: QJ9465500
• Peso molecolare: 158.2
• Beilstein: 774884
• Reaxy-Rn: 774884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Anisole - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

Proprietà chimiche e fisiche

• Solubilità: Immiscible with water. Miscible with ether, carbon disulfide and benzene.
• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.62
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 271°C
• Punto di fusione (°C): 6°C
• Peso molecolare: 158.200 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 158.073 Da
• Monoisotopic Mass: 158.073 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 12
• 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. Zhang-Na Qin, Zhen-Peng Zhen, Yu-Feng Gao.  (2025)  Quantification of three furfurals in food using a triazine-based hydrazine derivatization reagent by MALDI mass spectrometry.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2025.111146]

2. Zhang-Na Qin, Jia-Min Chen, Jia-Wei Li, Zhen-Peng Zhen, Qi-Zhao Chen, Zhi-Qiang Zhang, Gui-Hua Wang, Yu-Feng Gao.  (2025)  Rapid absolute quantification of glucose and fructose isomers in honey using a boronic acid-based reactive matrix by MALDI-TOF/TOF tandem mass spectrometry.  FOOD CHEMISTRY,      [PMID:40023024] [10.1016/j.foodchem.2025.143623]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 2216-69-5, the molecular formula is C11H10O, and the molecular weight is 158.2 g/mol. InChIKey NQMUGNMMFTYOHK-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.