beta-Naphthol ethyl ether - ≥99% , CAS No.93-18-5

CAS: 93-18-5 Cat. No.: N101454 Formula: C₁₂H₁₂O Molecular Weight: 172.22 Beilstein Registry Number: 2042397 EC Number: 202-226-7

GRADE & PURITY ≥99%

Synonyms

Nerolin bromelia|2-ETHOXYNAPHTHALENE [MI]|beta-Naphthyl ethyl ether|beta-Ethoxynaphthalene|2-ethoxynapthalene|Bromelia (compound)|Ethyl beta-naphthyl ether|2-ETHOXYNAPHTHALENE|2-ethoxy-naphthalene|Ethyl .beta.-naphtholate|Ethyl 2-naphthyl ether|Naphthalene, 2-ethoxy-|Neroline|.BETA.-NAPHTHYL ETHYL ETHER [FHFI]|ETHYL-beta-NAPTHYLETHER|b-Naphthyl ethyl ether|.beta.-Ethoxynaphthalene|Nerolin (new)|.beta.-Naphthyl ethyl ether|Bromelia|BETA-NAPHTHYL ETHYL ETHER [FCC]|Nerolin II|2-Naphthol ethyl ether|Ethyl beta-naphtholate|Ethyl .beta.-naphthyl ether|.beta.-Naphthol ethyl ether|beta-Naphthol ethyl ether

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Nerolin bromelia | 2-ETHOXYNAPHTHALENE [MI] | beta-Naphthyl ethyl ether | beta-Ethoxynaphthalene | 2-ethoxynapthalene | Bromelia (compound) | Ethyl beta-naphthyl ether | 2-ETHOXYNAPHTHALENE | 2-ethoxy-naphthalene | Ethyl .beta.-naphtholate | Ethyl 2-naphthyl ether | Naphthalene, 2-ethoxy- | Neroline | .BETA.-NAPHTHYL ETHYL ETHER [FHFI] | Show more

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

Pubchem Sid

488180306

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180306

Canonical Smiles

CCOC1=CC2=CC=CC=C2C=C1

IUPAC Name

2-ethoxynaphthalene

InChIKey

GUMOJENFFHZAFP-UHFFFAOYSA-N

INCHI

1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3

Isomeric SMILES

CCOC1=CC2=CC=CC=C2C=C1

WGK Germany

2

RTECS

QJ6900000

Molecular Weight

172.22

Beilstein

2042397

Reaxy-Rn

2042397

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042397&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - 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 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

Chemical and Physical Properties

• Refractive Index: 1.5932
• Boil Point(°C): 282°C
• Melt Point(°C): 37.5°C
• Molecular Weight: 172.220 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.089 Da
• Monoisotopic Mass: 172.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 155.000
• 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

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 93-18-5, the molecular formula is C12H12O, and the molecular weight is 172.22 g/mol. InChIKey GUMOJENFFHZAFP-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.