Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one |
EINECS | N/A |
CAS No. | 10139-84-1 | Density | 1.239 g/cm3 |
PSA | 57.53000 | LogP | 1.60880 |
Solubility | N/A | Melting Point |
150-154 °C |
Formula | C9H10O3 | Boiling Point | 340.7 °C at 760 mmHg |
Molecular Weight | 166.177 | Flash Point | 174 °C |
Transport Information | N/A | Appearance | orange-brown powder |
Safety | 37/39-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Acetophenone, 2',4'-dihydroxy-3'-methyl- (6CI);1-(2,4-Dihydroxy-3-methylphenyl)ethanone;3-Methylresacetophenone;4-Acetyl-2-methylresorcinol; |
Article Data | 13 |
The cas register number of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one is 10139-84-1. It also can be called as Ethanone, 1-(2,4-dihydroxy-3-methylphenyl)- and the IUPAC Name about this chemical is 1-(2,4-dihydroxy-3-methylphenyl)ethanone. It belongs to the Aromatic Acetophenones & Derivatives (substituted).
Physical properties about 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one are: (1)ACD/LogP: 2.20; (2)ACD/LogD (pH 5.5): 2.2; (3)ACD/LogD (pH 7.4): 2.15; (4)ACD/BCF (pH 5.5): 27.59; (5)ACD/BCF (pH 7.4): 24.65; (6)ACD/KOC (pH 5.5): 373.89; (7)ACD/KOC (pH 7.4): 333.97; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 35.53Å2; (12)Index of Refraction: 1.583; (13)Molar Refractivity: 44.86 cm3; (14)Molar Volume: 134 cm3; (15)Polarizability: 17.7810-24cm3; (16)Surface Tension: 52 dyne/cm; (17)Enthalpy of Vaporization: 60.74 kJ/mol; (18)Vapour Pressure: 4.29E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and 2-methyl-benzene-1,3-diol. This reaction will need reagent boron trifluoride etherate. The reaction time is 6 hour(s) with reaction temperature of 75 ℃. The yield is about 83%.
Uses of 1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one: it can be used to produce 2,4-dimethoxy-3-methylacetophenone with sulfuric acid dimethyl ester at Heating. This reaction will need reagent potassium carbonate and solvent acetone with reaction time of 48 hours. The yield is about 82%.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C=CC(=C1O)C(=O)C)O
(2)InChI: InChI=1S/C9H10O3/c1-5-8(11)4-3-7(6(2)10)9(5)12/h3-4,11-12H,1-2H3
(3)InChIKey: KMTLZBUHQPQFAV-UHFFFAOYSA-N