CAS 1515-95-3 1-Ethyl-4-methoxybenzene (HCID 73690)

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Basic information

CAS: 1515-95-3
Standard SMILES: CCc1ccc(OC)cc1
InChIKey: HDNRAPAFJLXKBV-UHFFFAOYSA-N
Molecular formula: C9H12O
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.088815

Names & identifiers

Preferred name: 1-Ethyl-4-methoxybenzene
IUPAC: 1-ethyl-4-methoxybenzene
English name: 4-Ethylanisole
Molecular formula: C9H12O
Molecular weight: 136.19

Names & synonyms

4-Ethylanisole1-Ethyl-4-methoxybenzene1515-95-3p-EthylanisoleAnisole, p-ethyl-p-Ethylanisol4-Ethylmethoxybenzene1-methoxy-4-ethylbenzeneP-ETHYLMETHOXYBENZENEUNII-I71P5QG20SI71P5QG20SDTXSID80164795

Show more names

Benzene, 1-ethyl-4-methoxy-1-ethyl-4-methoxycyclohexane4-Ethylanisole>Anisole, p-ethyl-4-Ethylanisole,99%

NSC-52941-methoxy-4-ethyl-benzeneP-METHOXYETHYLBENZENEMETHYL P-ETHYLPHENYL ETHERNSC 5294RefChem:75755DTXCID0087286604-805-3

Database identifiers

CAS: 1515-95-3
PubChem CID: 73690
DTXSID: DTXSID80164795
UNII: I71P5QG20S
EC Number: 604-805-3
Nikkaji: J11.023J

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 9.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 10
Formal charge: 0
Complexity: 82.7

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Flavoring AgentsEU Flavoring substances

Physicochemical properties

Boiling point: 84 °C6 · 84 °C6 mm Hg(lit.)
Density: 0.958 g/mL · 0.958 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.508(lit.)
FLAVIS Number: 4.069 · 04.069 | 1-Ethyl-4-methoxybenzene
Flash point: 175 °F · 175 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
color: Colorless to Light yellow
Specific Gravity: 0.96 · 0.96
Odor: 10 %indipropylene · at 10.00%indipropylene glycol. anise
Water Solubility: Soluble in alcohol. Insoluble in water.

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H227 (100%): Combustible liquid [Warning Flammable liquids]

P210, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Hazard Classes and CategoriesFlam. Liq. 4 (100%)

Safety data

wgk: 3
ridadr: 1993
hs_code: 29093090
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Hazard statements: H227
Precautionary statements: P210e-P280a-P370+P378a-P501a-P210-P280-P370+P378-P403+P235-P501

Chemistry & industry

Applications

UsesIt can be used the synthesis of 1-Methoxy-4-ethyl-1,4-cyclohexadiene. It is also applied in the ligand-assisted, copper-catalyzed enantioselective benzylic amination.

Preparation methods · 1 item

Preparationp-Methoxystyrene (0.2 mmol) and the diimine of 2,6-diisopropylbenzene (8 mg, 0.02 mmol) were reacted at room temperature for 24 h. The product was separated by silica gel column chromatography, eluted with petroleum ether, to give a colorless oily product, 4-ethylanisole, in 87% yield.