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Cas Database |
| Name |
Chavibetol |
EINECS | N/A |
| CAS No. | 501-19-9 | Density | 1.05 g/cm3 |
| PSA | 29.46000 | LogP | 2.12930 |
| Solubility | N/A | Melting Point |
8.5°C |
| Formula | C10H12O2 | Boiling Point | 253.5 °C at 760 mmHg |
| Molecular Weight | 164.204 | Flash Point | 122.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Phenol,2-methoxy-5-(2-propenyl)-;m-Eugenol;2-methoxy-5-prop-2-enyl-phenol;Phenol, 5-allyl-2-methoxy-; |
Article Data | 15 |
Chavibetol Synthetic route
| Conditions | Yield |
|---|---|
| With lithium hydroxide monohydrate; water In tetrahydrofuran; methanol for 3.5h; | 84% |
| Conditions | Yield |
|---|---|
| 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% |
| Conditions | Yield |
|---|---|
| With caesium carbonate In 2,2,2-trifluoroethanol for 18h; Irradiation; | 57% |
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile at 82℃; for 14h; Inert atmosphere; | 77% |
| Conditions | Yield |
|---|---|
| With ammonium iodide; water at 130℃; for 24h; Schlenk technique; | 65% |
Chavibetol 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
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