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7-Hydroxy-4-methyl-1-indanone

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Name

7-Hydroxy-4-methyl-1-indanone

EINECS N/A
CAS No. 67901-82-0 Density 1.25 g/cm3
PSA 37.30000 LogP 1.82950
Solubility N/A Melting Point 109-112 °C(lit.)
Formula C10H10O2 Boiling Point 339.3 °C at 760 mmHg
Molecular Weight 162.188 Flash Point 144.4 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 67901-82-0 (7-HYDROXY-4-METHYL-1-INDANONE  97) Hazard Symbols HarmfulXn
Synonyms

1H-inden-1-one, 2,3-dihydro-7-hydroxy-4-methyl-;7-Hydroxy-4-methyl-2,3-dihydro-1H-inden-1-one;4-Methyl-7-Hydroxy-1-Indanone;

Article Data 14

7-Hydroxy-4-methyl-1-indanone Specification

The 7-Hydroxy-4-methyl-1-indanone, with the CAS registry number 67901-82-0, is also known as 1H-inden-1-one, 2,3-dihydro-7-hydroxy-4-methyl-. This chemical's molecular formula is C10H10O2 and molecular weight is 162.19. What's more, its systematic name is 7-Hydroxy-4-methyl-2,3-dihydro-1H-inden-1-one and it belongs to the product categories of C10; Carbonyl Compounds; Ketones. 

Physical properties of 7-Hydroxy-4-methyl-1-indanone are: (1)ACD/LogP: 2.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.86; (4)ACD/LogD (pH 7.4): 2.86; (5)ACD/BCF (pH 5.5): 87.61; (6)ACD/BCF (pH 7.4): 87.55; (7)ACD/KOC (pH 5.5): 855.23; (8)ACD/KOC (pH 7.4): 854.68; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 45.26 cm3; (15)Molar Volume: 129.7 cm3; (16)Polarizability: 17.94×10-24 cm3; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 60.58 kJ/mol; (21)Boiling Point: 339.3 °C at 760 mmHg; (22)Vapour Pressure: 4.72E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-chloro-1-(2-hydroxy-5-methyl-phenyl)-propan-1-one at the temperature of 180 °C. This reaction will need reagent AlCl3 with the reaction time of 1.5 hours. The yield is about 87%.

7-Hydroxy-4-methyl-1-indanone can be prepared by 3-chloro-1-(2-hydroxy-5-methyl-phenyl)-propan-1-one at the temperature of 180 °C

Uses of 7-Hydroxy-4-methyl-1-indanone: it can be used to produce 7-hydroxy-4-methyl-indan-1-one oxime by heating. It will need reagents NH2OH•HCl, K2CO3 and solvent methanol with the reaction time of 3 hours. The yield is about 96%.

7-Hydroxy-4-methyl-1-indanone can be used to produce 7-hydroxy-4-methyl-indan-1-one oxime by heating

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes. In case of contact 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: Cc2ccc(O)c1c2CCC1=O
(2)InChI: InChI=1S/C10H10O2/c1-6-2-4-8(11)10-7(6)3-5-9(10)12/h2,4,11H,3,5H2,1H3
(3)InChIKey: FXEWVKMVYBQMET-UHFFFAOYSA-N

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