2-Propanone,1-(4-hydroxy-3-methoxyphenyl)- supplier

Name
4-HYDROXY-3-METHOXYPHENYLACETONE
EINECS 219-704-6
CAS No. 2503-46-0
Article Data40
CAS DataBase
Density 1.138 g/cm³
Solubility Soluble in alcohol and water, 1.101e+004 mg/L @ 25°C (est.).
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 305.7 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 119.7 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 46.53000
LogP 1.53230

2-Propanone,1-(4-hydroxy-3-methoxyphenyl)- 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.

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

Product Name

4-HYDROXY-3-METHOXYPHENYLACETONE

2-Propanone,1-(4-hydroxy-3-methoxyphenyl)- Specification

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