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2-ethyl naphthalene
2-ethyl naphthalene is an aromatic hydrocarbon with molecular formula C12H12, notable for an oily flavor and used mainly for informational or research purposes.
General Material Description
2-ethyl naphthalene is a polycyclic aromatic hydrocarbon characterized by its molecular formula C12H12. It appears as a clear, colorless liquid with an oily sensory impression and is a derivative of naphthalene featuring an ethyl substitution at the 2-position. Synonyms include beta-ethyl naphthalene, 2-ethylnaphthalene, and naphthalene, 2-ethyl-. It is documented in several chemical databases such as PubChem. Commercially, it is typically sourced via petroleum refining or chemical synthesis. Unlike many aromatic hydrocarbons used in fragrances or flavors, this compound is primarily referenced for research and informational purposes rather than sensory applications.
Occurrence, Applicability & Potential Uses
2-ethyl naphthalene occurs as a minor component in some petroleum fractions and related environmental samples. It is not commonly found in biological systems but is relevant in studies of aromatic hydrocarbons in industrial settings. According to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation (European Union), 2-ethyl naphthalene has identified hazard and chemical data but is not authorized for use in fragrances or flavors. Its primary utility lies in chemical research, analytical reference standards, and potential industrial applications where substituted naphthalenes are studied. Safety and usage recommendations reflect its limited application scope outside informational contexts.
Physico-Chemical Properties Summary
2-ethyl naphthalene exhibits a molecular weight of approximately 156.23 g/mol, with a molecular formula of C12H12. It is a colorless liquid at room temperature with a boiling point range near 257 to 258 °C at standard atmospheric pressure. Its specific gravity at 20 °C ranges narrowly from 0.993 to 0.995, indicating a density close to water's but slightly lower. The refractive index varies from 1.598 to 1.6 at 20 °C. The compound demonstrates low vapor pressure (0.0316 mmHg at 25 °C) consistent with its high boiling point. Solubility in alcohol is noted as positive, whereas solubility in water is minimal at around 8.01 mg/L at 25 °C. The logP value of 4.38 reflects significant lipophilicity, influencing its solvent interactions and partitioning behavior in formulations. Its flash point is 104 °C (220 °F) by Tag Closed Cup method, contributing to safety considerations during handling.
FAQ
What is 2-ethyl naphthalene and what are its main characteristics?
2-ethyl naphthalene is an aromatic hydrocarbon with the molecular formula C12H12. It is a colorless liquid known for its oily flavor note and is a derivative of naphthalene featuring an ethyl group at the second position. Primarily used for chemical research and informational purposes, it possesses a high boiling point and low water solubility. Its molecular structure and physical properties make it suitable for industrial chemical studies rather than direct applications in fragrances or flavors.
Where does 2-ethyl naphthalene occur naturally and what are its typical uses?
2-ethyl naphthalene occurs mainly in petroleum-derived fractions and is not commonly found in significant amounts in natural biological systems. It is generally produced during petroleum refining processes or chemical synthesis. This compound is not used commercially in fragrances or flavors but may be employed as a chemical reference or for analytical purposes. Regulatory data such as REACH (EU) provide information on its chemical classification. Research applications often focus on its behavior as an aromatic hydrocarbon within environmental or industrial contexts.
What are the safety and regulatory considerations for 2-ethyl naphthalene?
Data indicate that 2-ethyl naphthalene is not classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) according to OSHA (US). Toxicological data such as an oral rat LDLo of 5000 mg/kg have been documented, but comprehensive dermal and inhalation toxicity data are lacking. Usage recommendations do not support its inclusion in fragrances or flavors. Regulatory frameworks like REACH (EU) require registration and safety evaluation. Handling industrially requires adherence to standard chemical safety protocols due to its flammable characteristics and lipophilic nature.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 2-ethylnaphthalene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 13652 |
| Pubchem (sid): | 134979105 |
| Pherobase: | View |
| Publications by US Patents | |
| 3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines | |
| Flavoring agent | |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2902.90.9000 |
| ChemSpider: | View |
| Wikipedia: | View |
General Material Information
| Preferred name | 2-ethyl naphthalene |
| Trivial Name | 2-Ethylnaphthalene |
| Short Description | naphthalene, 2-ethyl- |
| Formula | C12 H12 |
| CAS Number | 939-27-5 |
| ECHA Number | 213-360-0 |
| FDA UNII | Search |
| Nikkaji Number | J53.719E |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 156.22764587402 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.272 to 8.289 |
| Refractive Index | 1.598 to 1.6 @ 20 °C |
| Boiling Point | 257 to 258°C @ 760 mm Hg |
| Vapor Pressure | 0.0316 mmHg @ 25 °C |
| Flash Point TCC Value | 104.44 °C TCC |
| logP (o/w) | 4.38 |
| Solubility | |
| alcohol | Yes |
| water, 8.01 mg/L @ 25 °C (exp) | Yes |
| water | No |
Organoleptic Properties
| Flavor Type: Oily | |
| oily | |
| General comment | Oily |
Safety Information
Safety information
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LDLo 5000 mg/kg "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 55, 1960. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| information only not used for fragrances or flavors | |||
| Recommendation for 2-ethyl naphthalene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for 2-ethyl naphthalene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :13652 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-ethylnaphthalene |
| Chemidplus:0000939275 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:QJ6960000 for cas# 939-27-5 |