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CAS No.: | 120-11-6 |
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Name: | 1-Benzyloxy-2-methoxy-4-propenylbenzene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C17H18O2 |
Molecular Weight: | 254.329 |
Synonyms: | Benzene,1-(benzyloxy)-2-methoxy-4-propenyl- (6CI,7CI,8CI);Benzene,2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)- (9CI);Benzyl2-methoxy-4-propenylphenyl ether;Benzyl isoeugenol;Benzyl isoeugenol ether;Isoeugenol, benzyl ether;NSC 46157; |
EINECS: | 204-370-6 |
Density: | 1.064 g/cm3 |
Melting Point: | 59-63 °C(lit.) |
Boiling Point: | 388.638 °C at 760 mmHg |
Flash Point: | 152.122 °C |
Appearance: | White crystalline power |
PSA: | 18.46000 |
LogP: | 4.30730 |
2-methoxy-4-propenylphenol
benzyl bromide
2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-benzene
Conditions | Yield |
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Stage #1: 2-methoxy-4-propenylphenol With potassium carbonate In N,N-dimethyl-formamide for 2h; Inert atmosphere; Stage #2: benzyl bromide In N,N-dimethyl-formamide at 60℃; for 12h; |
2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)-benzene
1-(benzyloxy)-2-methoxy-4-propylbenzene
Conditions | Yield |
---|---|
With hydrogen In methanol at 20℃; under 760.051 Torr; for 24h; | 100% |
With hydrogen In methanol at 25℃; for 3h; | 99% |
With hydrogen In methanol at 20℃; for 5h; chemoselective reaction; | 98% |
With palladium on activated charcoal; hydrogen In 1,4-dioxane at 20℃; for 24h; chemoselective reaction; | 98% |
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen at 20℃; for 24h; Neat (no solvent); | 100% |
With hydrogen In methanol at 20℃; under 760.051 Torr; for 3.5h; Reagent/catalyst; chemoselective reaction; | 100% |
With hydrogen In methanol at 20℃; for 18h; chemoselective reaction; | 99% |
Conditions | Yield |
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With lithium bromide In dichloromethane at 30 - 35℃; for 12h; Inert atmosphere; regioselective reaction; | 75% |
Conditions | Yield |
---|---|
In neat (no solvent) for 16h; Microwave irradiation; | 3% |
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IUPAC Name: 2-Methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
Synonyms: 1-(Benzyloxy)-2-methoxy-4-[(1E)-1-propenyl]benzene ; 1-(Benzyloxy)-2-methoxy-4-propenyl-benzen ; 1-Alpha.-Phenyl-4-propenylveratrole ; 2-Methoxy-1-(phenylmethoxy)-4-(1-propenyl)-benzen ; 2-Methoxy-1-(phenylmethoxy)-4-(1-propenyl)-Benzene ; Benzene, 1-(benzyloxy)-2-methoxy-4-propenyl- ; Benzene, 2-methoxy-1-(phenylmethoxy)-4-(1-propenyl)- ; Benzyl alcohol, ether with isoeugenol
Molecular Structure of Benzyl isoeugenol ethe (CAS NO.120-11-6) :
Molecular Formula of Benzyl isoeugenol ethe (CAS NO.120-11-6) : C17H18O2
Molecular Weight of Benzyl isoeugenol ethe (CAS NO.120-11-6) : 254.33
CAS NO: 120-11-6
EINECS: 204-370-6
FEMA : 3698
Index of Refraction: 1.583
Surface Tension: 38.5 dyne/cm
Density: 1.063 g/cm3
Flash Point: 152.1 °C
Enthalpy of Vaporization: 61.29 kJ/mol
Boiling Point: 388.6 °C at 760 mmHg
Vapour Pressure: 6.76E-06 mmHg at 25°C
Melting point 56-60 ºC
Appearance: white to ivory yellow crystalline powder
Solubility: soluble in ethanol, ethyl ether and non-volatile oil, a few do not dissolve in propylene glycol, glycerin and water.
GB 2760 - 1996 provides that Benzyl isoeugenol ethe (CAS NO.120-11-6) is used for the use of edible spices. According to CE regulations, the maximum dosage is 10mg/kg. It is mainly used in spicy type and banana flavor.
Benzyl isoeugenol ethe (CAS NO.120-11-6) is derived by refluxing and heating of Isoeugenol with Benzyl chloride.
1. | skn-rbt 500 mg/24H MLD | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1025. | ||
2. | orl-rat LD50:4900 mg/kg | FCTXAV Food and Cosmetics Toxicology. 11 (1973),1025. |
Reported in EPA TSCA Inventory.
Mildly toxic by ingestion. A skin irritant. See also ETHERS. When heated to decomposition it emits acrid smoke and irritating fumes.
WGK Germany 3
RTECS CY8225000