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| CAS No.: | 7786-61-0 |
|---|---|
| Name: | 4-Hydroxy-3-methoxystyrene |
| Article Data: | 77 |
| Molecular Structure: | |
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| Formula: | C9H10O2 |
| Molecular Weight: | 150.177 |
| Synonyms: | Guaiacol,4-vinyl- (6CI);Phenol, 2-methoxy-4-vinyl- (7CI,8CI);(4-Hydroxy-3-methoxyphenyl)ethene;3-Methoxy-4-hydroxystyrene;4-Hydroxy-3-methoxyvinylbenzene;4-Vinylguaiacol;Varamol 106;o-Methoxy-p-vinylphenol;p-Vinylguaiacol; |
| EINECS: | 232-101-2 |
| Density: | 1.09 g/cm3 |
| Melting Point: | 25-29 °C |
| Boiling Point: | 244.958 °C at 760 mmHg |
| Flash Point: | 111.343 °C |
| Solubility: | Miscible with water. |
| Appearance: | Colorless to slightly yellow liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 29.46000 |
| LogP: | 2.04380 |
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Specification
The 4-Hydroxy-3-methoxystyrene, with the CAS registry number 7786-61-0, is also known as 2-Methoxy-4-vinylphenol. It belongs to the product categories of Pharmaceutical Raw Materials; Aromatic Phenols; Phenol Flavor; Alphabetical Listings; Flavors and Fragrances; M-N. Its EINECS registry number is 232-101-2. This chemical's molecular formula is C9H10O2 and molecular weight is 150.17. What's more, its IUPAC name is called 4-Ethenyl-2-methoxyphenol. It is an aromatic substance used as a flavoring agent. It is one of the compounds responsible for the natural aroma of buckwheat.
Physical properties about 4-Hydroxy-3-methoxystyrene are: (1)ACD/LogP: 2.573; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 53.10; (6)ACD/BCF (pH 7.4): 52.97; (7)ACD/KOC (pH 5.5): 597.63; (8)ACD/KOC (pH 7.4): 596.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 45.737 cm3; (15)Molar Volume: 137.813 cm3; (16)Polarizability: 18.132×10-24cm3; (17)Surface Tension: 38.786 dyne/cm; (18)Density: 1.09 g/cm3; (19)Flash Point: 111.343 °C; (20)Enthalpy of Vaporization: 50.155 kJ/mol; (21)Boiling Point: 244.958 °C at 760 mmHg; (22)Vapour Pressure: 0.019 mmHg at 25 °C.
Preparation of 4-Hydroxy-3-methoxystyrene: this chemical can be prepared by 4-hydroxy-3-methoxy-benzaldehyde with methyl-triphenyl-phosphonium; bromide. This reaction needs reagent K2CO3 and solvent H2O at temperature of 130 °C. The reaction time is 6 hours. The yield is 63 %.
Uses of 4-Hydroxy-3-methoxystyrene: it is used to produce other chemicals. For example, it can react with 4-benzenesulfinyl-phenol to get 2-methoxy-4-(5-phenylsulfanyl-2,3-dihydro-benzofuran-2-yl)-phenol. This reaction needs reagent (CF3CO)2O and solvent acetonitrile at temperature of -40 °C. The reaction time is 30 min. The yield is 55 %.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1OC)\C=C
(2) InChI: InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
(3) InChIKey: YOMSJEATGXXYPX-UHFFFAOYSA-N