2-ethoxynaphthalene

• ChemBase ID: 107045
• Molecular Formular: C12H12O
• Molecular Mass: 172.22308
• Monoisotopic Mass: 172.088815
• SMILES: CCOc1ccc2ccccc2c1
• Canonical SMILES: CCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H12O/c1-2-13-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
• InChIKey: GUMOJENFFHZAFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxynaphthalene
• IUPAC Traditional name: bromelia
• Synonyms: ETHYL-β-NAPTHYLETHER; 2-naphthol ethyl ether; beta-naphthol ethyl ether; beta-naphthyl ethyl ether; bromelia; ethyl beta-naphtholate; ethyl beta-naphthyl ether; nerolin bromelia; 2-Ethoxynaphthalene; Ethyl 2-naphthyl ether; Neroline; Nerolin bromelia; 2-Ethoxynaphthalene; 2-Ethoxynaphthalene; 2-乙氧基萘; 乙位萘乙醚; 乙基2-萘基醚; 橙花素; 2-乙氧基萘

Database IDs

• CAS Number: 93-18-5
• EC Number: 202-226-7
• MDL Number: MFCD00016808
• Beilstein Number: 2042397
• Merck Index: 143752
• PubChem SID: 24845750; 24901315; 162092937
• PubChem CID: 7129
• FEMA ID: 2768
• Council of Europe Number: 2058
• Flavis Number: 4.033

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1618593
• LogD (pH = 7.4): 3.1618593
• Log P: 3.1618593
• Molar Refractivity: 53.72 cm^3
• Polarizability: 22.314867 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: alcohol: soluble; dipropylene glycol: soluble; isopropyl myristate: soluble
• Melting Point: 35-37 °C; 35-37 °C(lit.); 35-37°C
• Boiling Point: 282°C
• Flash Point: 134°C(273°F)
• Organoleptic: grape

Safety Information

• RTECS: QJ6900000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/37/38; 38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315; H315-H319-H335-H303
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Pharmacology Properties

• Allergens: no known allergens

Product Information

• Purity: ≥99.0% (GC); 98%; 99%
• Grade: for fluorescence; Kosher; purum
• Biological Source: from synthetic
• Origin: China origin
• Empirical Formula (Hill Notation): C12H12O

DETAILS

Sigma Aldrich - W276804

Packaging
1 kg in poly bottle
1 sample in glass bottle
10 kg in fiber drum
Application
The fluorescence of 2-Ethoxynaphthalene has been shown to be weakly quenched by m-dimethlphthalate and methyl benzoate. Importantly, at increased concentration methyl benzoate enhances the fluorescence by increasing the polarity of the solvent 1.

Sigma Aldrich - 04530

Application
The fluorescence of 2-Ethoxynaphthalene has been shown to be weakly quenched by m-dimethlphthalate and methyl benzoate. Importantly, at increased concentration methyl benzoate enhances the fluorescence by increasing the polarity of the solvent 1.