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| CAS No.: | 2503-46-0 |
|---|---|
| Name: | 4-HYDROXY-3-METHOXYPHENYLACETONE |
| Article Data: | 40 |
| Molecular Structure: | |
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| Formula: | C10H12O3 |
| Molecular Weight: | 180.203 |
| Synonyms: | 2-Propanone,(4-hydroxy-3-methoxyphenyl)- (6CI,7CI);(4-Hydroxy-3-methoxyphenyl)acetone;1-(4-Hydroxy-3-methoxyphenyl)-2-propanone;2-Propiovanillone;Guaiacylacetone;Methyl vanillyl ketone;NSC 16690;Vanillyl methyl ketone;4-Hydroxy-3-methoxyphenyl acetone; |
| EINECS: | 219-704-6 |
| Density: | 1.138 g/cm3 |
| Boiling Point: | 305.7 °C at 760 mmHg |
| Flash Point: | 119.7 °C |
| Solubility: | Soluble in alcohol and water, 1.101e+004 mg/L @ 25°C (est.). |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 46.53000 |
| LogP: | 1.53230 |
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Specification
The 2-Propanone,1-(4-hydroxy-3-methoxyphenyl)-, with the CAS registry number 2503-46-0, is also known as 4-Hydroxy-3-methoxyphenyl acetone. It belongs to the product categories of Aromatic Ketones (substituted); C10; Carbonyl Compounds; Ketones. Its EINECS registry number is 219-704-6. This chemical's molecular formula is C10H12O3 and molecular weight is 180.2. Its IUPAC name is called 1-(4-hydroxy-3-methoxyphenyl)propan-2-one.
Physical properties of 2-Propanone,1-(4-hydroxy-3-methoxyphenyl)-: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): 0.41; (3)ACD/LogD (pH 7.4): 0.41; (4)ACD/BCF (pH 5.5): 1.2; (5)ACD/BCF (pH 7.4): 1.2; (6)ACD/KOC (pH 5.5): 39.69; (7)ACD/KOC (pH 7.4): 39.56; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.531; (12)Molar Refractivity: 49.02 cm3; (13)Molar Volume: 158.3 cm3; (14)Surface Tension: 40.9 dyne/cm; (15)Density: 1.138 g/cm3; (16)Flash Point: 119.7 °C; (17)Enthalpy of Vaporization: 56.79 kJ/mol; (18)Boiling Point: 305.7 °C at 760 mmHg; (19)Vapour Pressure: 0.000449 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-(4-hydroxy-3-methoxy)phenyl-3-methyloxirane. This reaction will need reagent aq. HBr.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CC1=CC(=C(C=C1)O)OC
(2)InChI: InChI=1S/C10H12O3/c1-7(11)5-8-3-4-9(12)10(6-8)13-2/h3-4,6,12H,5H2,1-2H3
(3)InChIKey: LFVCJQWZGDLHSD-UHFFFAOYSA-N