Basic information
- Standard SMILES
COc1ccc2ccccc2c1- InChIKey
LUZDYPLAQQGJEA-UHFFFAOYSA-N- Molecular formula
- C11H10O
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.07316494
Overview
2-Methoxynaphthalene is a member of naphthalenes.
Names & identifiers
- Preferred name
- 2-Methoxynaphthalene
- IUPAC
- 2-methoxynaphthalene
- English name
- 2-Methoxynaphthalene
- Molecular formula
- C11H10O
- Molecular weight
- 158.2
Names & synonyms
2-METHOXYNAPHTHALENE93-04-9Naphthalene, 2-methoxy-NerolinMethyl 2-naphthyl ether2-Naphthol methyl etherbeta-Naphthyl methyl etherbeta-MethoxynaphthaleneNerolin (old)beta-Naphthol methyl etherDTXSID7044392VX2T1Z50C4
Show more names
NEROLIN YARA YARANEROLINE YARA YARANaproxen Impurity MYARAJara jara2-MethoxynaphthaLB-NAPHTHOL METHYL ETHERB-NAPHTHYL METHYL ETHER
NSC-4171DTXCID5024392FEMA NO. 4704RefChem:87936202-213-6Yara yaraYara-YaraYura yara
Database identifiers
- CAS
93-04-9- PubChem CID
- 7119
- DTXSID
DTXSID7044392- ChEMBL
CHEMBL195857- ChEBI
CHEBI:177835- UNII
- VX2T1Z50C4
- EC Number
- 202-213-6
- Nikkaji
- J4.667A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 144
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Naphthalenes
PolymersPolycyclic aromatic compound
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
FragrancesFragrance Ingredient (beta-Naphthyl methyl ether) -> IFRA transparency List
LogP
3.47
3.47
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility
Insoluble in water, miscible in oils
soluble (in ethanol)
Boiling Point274.00 °C. @ 760.00 mm Hg
Melting Point72 °C
Vapor Pressure0.00823 [mmHg]
Physical Description
Large Crystals; CBI; Dry Powder; Liquid; Dry Powder; Liquid
Solid; [Merck Index] White crystalline powder; [Alfa Aesar MSDS]
Solid
White shiny crystals, Intensely sweet, orange blossom Acacia-like aroma
Physicochemical properties
- Melting point
- 70 · 70-73 °C (lit.)
- Boiling point
- 274 °C · 274 °C (lit.)
- Density
- 1.064 g/mL · 1.064 g/mL at 25 °C (lit.)
- vapor pressure
- 1.097 Pa · 1.097Pa at 25℃
- refractive index
- 1.544 · 1.5440 (estimate)
- FEMA
- 4704 · 4704 | BETA-NAPHTHYL METHYL ETHER
- FLAVIS Number
- 4.074 · 04.074 | 2-Methoxynaphthalene
- Flash point
- 272 · 272-274°C
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- 2 O: · H2O: soluble (completely)
- form
- Crystalline Solid
- pka
- 0 · 0[at 20 ℃]
- color
- White to yellow-brown
- Odor
- 1 % · at 1.00 % in dipropylene glycol. sweet naphthyl floral orange blossom acacia neroli
- Odor Type
- naphthyl
- biological source
- synthetic
- Water Solubility
- INSOLUBLE
- Merck
- 14 · 14,5997
- JECFA Number
- 1257 · 1257
- BRN
- 1859408 · 1859408
- Stability
- Stable. Combustible. Incompatible with strong oxidizing agents.
- Cosmetics Ingredients Functions
- PERFUMING
- InChI
- 1S/C11H10O/c1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
- InChIKey
- LUZDYPLAQQGJEA-UHFFFAOYSA-N
- SMILES
- COc1ccc2ccccc2c1
- LogP
- 3.318 at · 3.318 at 25℃
- CAS DataBase Reference
- 93 · 93-04-9(CAS DataBase Reference)
- Substances Added to Food (formerly EAFUS)
- BETA-NAPHTHYL METHYL ETHER
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 2 T1Z50C4 · VX2T1Z50C4
- NIST Chemistry Reference
- 2 · Naphthalene, 2-methoxy-(93-04-9)
- EPA Substance Registry System
- 2 · Naphthalene, 2-methoxy- (93-04-9)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07,GHS09
- Signal word
- Warning
- Hazard statements
- 319 · H319-H411
- Precautionary statements
- 264 · P264-P273-P280-P305+P351+P338-P337+P313-P391
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Safety Statements
- 22 · 22-24/25
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 2 · 2
- RTECS
- 9468750 · QJ9468750
- TSCA
- TSCA listed
- HazardClass
- 9 · 9
- HS Code
- 29093090 · 29093090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Eye · Aquatic Chronic 2Eye Irrit. 2
- Toxicity
- 50 oral · LD50 oral in rat: > 5gm/kg
- REACH Registrations
- Active
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 78.2% (1504 of 1923) of all reports.
H411 (18.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1923 reports by companies from 15 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Naphthalene, 2-methoxy-
Regulation (EC) No 1831/2003 (amended)
Naphthalene, 2-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Naphthalene, 2-methoxy- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 31-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/5694
2-Methoxynaphthalene: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Naphthalene.
Hazard Classes and CategoriesAquatic Chronic 2 (18.5%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- QJ9468750
- ridadr
- UN 3077 9 / PGIII
- hs_code
- 29093090
- Toxicity
- LD50 oral in rat: > 5gm/kg
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09
- safety_code
- 22-24/25
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H319-H411
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- REACH Registrations
- Active
- Hazard Classifications
- Aquatic Chronic 2Eye Irrit. 2
- Precautionary statements
- P264-P273-P280-P305+P351+P338-P337+P313-P391
Chemistry & industry
Pharmacology
Cellular LocationsMembrane
Uses & manufacturing
UsesUsed as flavoring agent or adjuvant; [FDA]
U.S. Production2023: 2,500,000 - <4,000,000 lb
Consumer UsesOther
Industry UsesFragrance
Household ProductsInformation on 122 consumer products that contain Methyl 2-naphthyl ether in the following categories is provided:
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing Information
Plastics Material and Resin Manufacturing
Naphthalene, 2-methoxy-: ACTIVE
Applications
Descriptionβ-Naphthyl methyl ether has an intensely sweet, floral odor suggestive of orange blossoms. It is free from naphthol by-odor. It has a sweet, strawberry taste. This may be prepared from potassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthol with dimethyl sulfate or by direct esterification with methyl alcohol.
Uses2-methoxynaphthalene acylation is used as a model reaction to study the catalytic benefits of delamination. It was also used to study the alkali-metal-mediated manganation (AMMMn) reactions.
Uses2-methoxynaphthalene acylation was used as a model reaction to study the catalytic benefits of delamination. It was also used to study the alkali-metal-mediated manganation (AMMMn) reactions.
Uses2-Methoxynaphthalene is an Impurity of the non-steroidal anti-inflammatory Naproxen (N377525).
Preparation methods
PreparationFrom postassium β-naphthol and methyl chloride at 300°C; by methylation of β-naphthlol with dimethyl sulfate or by direct esterification with methyl alcohol
Upstream & downstream products
Upstream raw materials
Downstream products
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Additional notes
DefinitionChEBI: 2-Methoxynaphthalene is a member of naphthalenes.
Related reactions
366 records
Linked notes
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