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501-19-9

Basic Information
CAS No.: 501-19-9
Name: 2-methoxy-5-prop-2-enyl-phenol
Article Data: 15
Molecular Structure:
Molecular Structure of 501-19-9 (2-methoxy-5-prop-2-enyl-phenol)
Formula: C10H12O2
Molecular Weight: 164.204
Synonyms: Phenol,2-methoxy-5-(2-propenyl)-;m-Eugenol;2-methoxy-5-prop-2-enyl-phenol;Phenol, 5-allyl-2-methoxy-;
Density: 1.05 g/cm3
Melting Point: 8.5°C
Boiling Point: 253.5 °C at 760 mmHg
Flash Point: 122.4 °C
PSA: 29.46000
LogP: 2.12930
Synthetic route
1941-09-9

5-allyl-2-methoxyphenyl acetate

501-19-9

chavibetol

Conditions
ConditionsYield
With lithium hydroxide monohydrate; water In tetrahydrofuran; methanol for 3.5h;84%
140-67-0

Estragole

501-19-9

chavibetol

Conditions
ConditionsYield
Stage #1: Estragole With N,N,N,N,-tetramethylethylenediamine; sec.-butyllithium In tetrahydrofuran; cyclohexane at -78℃; for 2h;
Stage #2: With Trimethyl borate In tetrahydrofuran; cyclohexane at 0℃; for 1h;
Stage #3: With dihydrogen peroxide; sodium hydroxide In tetrahydrofuran; cyclohexane; water at 20℃; for 2h;
72%
66037-03-4

2-acetoxy-4-chloro-1-methoxybenzene

762-72-1

allyl-trimethyl-silane

501-19-9

chavibetol

Conditions
ConditionsYield
With caesium carbonate In 2,2,2-trifluoroethanol for 18h; Irradiation;57%
766-38-1

mucobromic acid

501-19-9

chavibetol

C14H13BrO4

Conditions
ConditionsYield
Stage #1: mucobromic acid; chavibetol With sodium hydroxide In water at 20℃; for 1h; Sonication;
Stage #2: With sodium tetrahydroborate In water at 0℃; for 1h;
86%
21889-89-4

2,3-epoxy-3-methylcyclohexanone

501-19-9

chavibetol

2-(5-allyl-2-methoxyphenoxy)-3-methylcyclohex-2-en-1-one

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 82℃; for 14h; Inert atmosphere;77%
501-19-9

chavibetol

67-68-5

dimethyl sulfoxide

5-(2-hydroxy-3-(methylthio)propyl)-2-methoxyphenol

Conditions
ConditionsYield
With ammonium iodide; water at 130℃; for 24h; Schlenk technique;65%
Downstream Products
19754-21-3
1755-54-0
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Specification

The Chavibetol, with the CAS registry number 501-19-9, is also known as 3-Allyl-6-methoxyphenol. This chemical's molecular formula is C10H12O2 and molecular weight is 164.2011. Its IUPAC name is called 2-methoxy-5-prop-2-enylphenol.

Physical properties of Chavibetol: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.2; (4)ACD/BCF (pH 5.5): 27.88; (5)ACD/BCF (pH 7.4): 27.81; (6)ACD/KOC (pH 5.5): 376.88; (7)ACD/KOC (pH 7.4): 375.94; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 48.72 cm3; (13)Molar Volume: 156.2 cm3; (14)Surface Tension: 36.5 dyne/cm; (15)Density: 1.05 g/cm3; (16)Flash Point: 122.4 °C; (17)Enthalpy of Vaporization: 51.07 kJ/mol; (18)Boiling Point: 253.5 °C at 760 mmHg; (19)Vapour Pressure: 0.0114 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)CC=C)O
(2)InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7,11H,1,4H2,2H3
(3)InChIKey: NPBVQXIMTZKSBA-UHFFFAOYSA-N