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CAS No.: | 104-45-0 |
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Name: | 4-N-PROPYLANISOLE |
Article Data: | 125 |
Molecular Structure: | |
Formula: | C10H14 O |
Molecular Weight: | 150.221 |
Synonyms: | Anisole,p-propyl- (6CI,7CI,8CI); 1-Methoxy-4-propylbenzene; 4-Methoxy-1-propylbenzene;4-Propylanisole; 4-n-Propylanisole; Dihydroanethole; Methyl p-propylphenylether; NSC 37996; p-Propylanisole; p-Propylphenol methyl ether |
EINECS: | 203-203-4 |
Density: | 0.941 g/mL at 25 °C(lit.) |
Melting Point: | 45-46 °C |
Boiling Point: | 215 °C(lit.) |
Flash Point: | 194 °F |
Hazard Symbols: | N |
Risk Codes: | 51/53 |
Safety: | Mildly toxic by ingestion. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. |
PSA: | 9.23000 |
LogP: | 2.64770 |
Conditions | Yield |
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With hydrogen; sodium triethylborohydride In tetrahydrofuran at 23℃; under 30003 Torr; for 96h; Reagent/catalyst; Autoclave; | 100% |
With hydrogen; sodium triethylborohydride In tetrahydrofuran at 23℃; under 30402 Torr; for 18h; Catalytic behavior; Reagent/catalyst; Glovebox; Inert atmosphere; | 100% |
With borane-ammonia complex; Pd(SIPr)(PCy3) In isopropyl alcohol at 50℃; for 16h; Inert atmosphere; Glovebox; | 99% |
Conditions | Yield |
---|---|
With magnesium; nickel dichloride In water at 20℃; for 12h; Sealed tube; Photolysis; Inert atmosphere; | 99% |
With oxygen; hydrazine hydrate In propan-1-ol at 120℃; under 15001.5 Torr; for 0.5h; | 91% |
With oxygen; hydrazine hydrate In propan-1-ol at 120℃; under 15001.5 Torr; for 0.166667h; Flow reactor; | 91% |
Conditions | Yield |
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With C28H18Co(1-)*K(1+)*2C4H10O2; hydrogen In toluene at 60℃; under 7500.75 Torr; for 24h; chemoselective reaction; | 99% |
With sodium hydrogen telluride In ethanol Heating; overnight; | 94% |
With formic acid; Pd(SIPr)(PCy3) In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; | 94% |
1-methanesulfonyloxy-3-(4-methoxyphenyl)propane
4-n-propylanisole
Conditions | Yield |
---|---|
With samarium diiodide; tri-n-butyl-tin hydride; lithium iodide In tetrahydrofuran; N,N,N,N,N,N-hexamethylphosphoric triamide at 20 - 35℃; for 21h; Elimination; | 95% |
2-phenyl-1,3,2-benzodioxaborole
E-1-(4'-methoxyphenyl)prop-1-ene
A
4-n-propylanisole
B
phenol
Conditions | Yield |
---|---|
With oxygen; hydrazine hydrate In acetonitrile at 32℃; under 760.051 Torr; for 5h; Schlenk technique; | A 95% B 91% |
Conditions | Yield |
---|---|
Stage #1: propyl bromide With chloro-trimethyl-silane; diisobutylaluminium hydride; magnesium; 1-Bromo-2-chloroethane In tetrahydrofuran at 40℃; Flow reactor; Stage #2: With 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In tetrahydrofuran at 20℃; for 0.166667h; Inert atmosphere; Flow reactor; Stage #3: 4-chloromethoxybenzene With iron(III)-acetylacetonate In tetrahydrofuran at 25℃; for 0.333333h; Inert atmosphere; Flow reactor; Irradiation; | 95% |
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid 4-methoxyphenyl ester
propyl bromide
4-n-propylanisole
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 5-(dicyclohexylphosphaneyl)-1-(2,6-diisopropoxyphenyl)-1H-pyrazole; magnesium; lithium chloride; zinc(II) chloride In tetrahydrofuran at 25℃; for 24h; Inert atmosphere; Sealed tube; chemoselective reaction; | 93% |
Conditions | Yield |
---|---|
With layered double hydroxide - supported L-methionine at 180℃; for 6h; Autoclave; chemoselective reaction; | 89% |
Conditions | Yield |
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With palladium diacetate; zinc dibromide; tri tert-butylphosphoniumtetrafluoroborate In tetrahydrofuran at 20 - 25℃; for 2.5h; Inert atmosphere; | 88% |
Estragole
A
(Z)-1-(4-tolyl)-1-propene
B
(E)-1-methyl-4-(prop-1-enyl)benzene
C
4-n-propylanisole
Conditions | Yield |
---|---|
With iron(III) chloride; lithium aluminium tetrahydride; hydrogen In tetrahydrofuran at 18℃; under 750.075 Torr; for 24h; Inert atmosphere; Sealed tube; | A n/a B n/a C 84% |
IUPAC Name:1-Methoxy-4-propylbenzene
Synonyms: Dihydroanethole ; Fema 2930 ; 4-Propylanisole ; 4-N-Propylanisole ; 1-Methoxy-4-propylbenzene ; Timtec-bb sbb007737 ; P-propyl anisole ; 1-Methoxy-4-propyl-benzen
CAS NO: 104-45-0
Molecular Formula:C10H14O
Molecular Weight: 150.22
Molecular Structure:
EINECS: 203-203-4
FEMA : 2930
Mol File: 104-45-0.mol
Index of Refraction: 1.49
Surface Tension: 29.8 dyne/cm
Density: 0.922 g/cm3
Flash Point: 82.3 °C
Enthalpy of Vaporization: 42.94 kJ/mol
Boiling Point: 211.4 °C at 760 mmHg
Vapour Pressure: 0.266 mmHg at 25°C
Appearance: P-N-Propyl anisole (CAS NO. 104-45-0) is colorless to pale yellow liquid.
Solubility: P-N-Propyl anisole (CAS NO. 104-45-0) is soluble in ethanol, the majority of non-volatile oil and mineral oil, insoluble in glycerin and propylene glycol.
P-N-Propyl anisole (CAS NO. 104-45-0) is used as spices, mainly for the preparation of beer flavor.
anethole in the nickel catalyst at the 60 ~ 95 ℃ and pressure, formed under the conditions of partial hydrogenation.
1. | sln-dmg-orl 5 mmol/L | FCTOD7 Food and Chemical Toxicology. 21 (1983),707. | ||
2. | orl-rat LD50:4400 mg/kg | TXAPA9 Toxicology and Applied Pharmacology. 6 (1964),378. | ||
3. | orl-mus LD50:7300 mg/kg | FCTXAV Food and Cosmetics Toxicology. 2 (1964),327. |
Reported in EPA TSCA Inventory.
Mildly toxic by ingestion. Mutation data reported. Combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes N
Risk Statements 51/53
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
Safety Statements 61
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
WGK Germany 2
RTECS BZ9450000