7-Ethoxy-2-naphthalenol - ≥98% , CAS No.57944-44-2

CAS: 57944-44-2 Cat. No.: E194036 Formula: C₁₂H₁₂O₂ Molecular Weight: 188.22

GRADE & PURITY ≥98%

Synonyms

7-Ethoxy-2-hydroxynaphthalene | AM20040763 | JUCJMPYFZSOWCE-UHFFFAOYSA-N | FS-2901 | A831679 | DS-0637 | DTXSID60482343 | MFCD11110689 | 7-ethoxynaphthalen-2-ol | SCHEMBL741708 | 2-Naphthalenol,7-ethoxy-(9CI) | AKOS009314780 | J-519236 | FT-0646351 | (3-B

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

7-Ethoxy-2-hydroxynaphthalene | AM20040763 | JUCJMPYFZSOWCE-UHFFFAOYSA-N | FS-2901 | A831679 | DS-0637 | DTXSID60482343 | MFCD11110689 | 7-ethoxynaphthalen-2-ol | SCHEMBL741708 | 2-Naphthalenol,7-ethoxy-(9CI) | AKOS009314780 | J-519236 | FT-0646351 | (3-B

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504767015
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767015
• Canonical Smiles: CCOC1=CC2=C(C=CC(=C2)O)C=C1
• IUPAC Name: 7-ethoxynaphthalen-2-ol
• InChIKey: JUCJMPYFZSOWCE-UHFFFAOYSA-N
• INCHI: 1S/C12H12O2/c1-2-14-12-6-4-9-3-5-11(13)7-10(9)8-12/h3-8,13H,2H2,1H3
• Isomeric SMILES: CCOC1=CC2=C(C=CC(=C2)O)C=C1
• Molecular Weight: 188.22
• Reaxy-Rn: 2575062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2575062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 2-naphthol - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 188.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.084 Da
• Monoisotopic Mass: 188.084 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 181.000
• 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

Frequently Asked Questions

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.

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 57944-44-2, the molecular formula is C12H12O2, and the molecular weight is 188.22 g/mol. InChIKey JUCJMPYFZSOWCE-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.