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1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one

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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 Molecular Structure of 10139-84-1 (2',4'-DIHYDROXY-3'-METHYLACETOPHENONE) Hazard Symbols IrritantXi
Synonyms

Acetophenone, 2',4'-dihydroxy-3'-methyl- (6CI);1-(2,4-Dihydroxy-3-methylphenyl)ethanone;3-Methylresacetophenone;4-Acetyl-2-methylresorcinol;

Article Data 13

1-(2,4-Dihydroxy-3-methylphenyl)ethan-1-one Specification

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

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