Name: 7-HYDROXY-4-METHYL-1-INDANONE 97
SKU: 67901-82-0

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Basic Information

Molecular Structure:
CAS No.:	67901-82-0
Name:	7-HYDROXY-4-METHYL-1-INDANONE 97
Article Data:	14

Formula:	C₁₀H₁₀O₂
Molecular Weight:	162.188
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;
Density:	1.25 g/cm³
Melting Point:	109-112 °C(lit.)
Boiling Point:	339.3 °C at 760 mmHg
Flash Point:	144.4 °C
Hazard Symbols:	Xn
Risk Codes:	22-36
Safety:	26
PSA:	37.30000
LogP:	1.82950

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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^-24cm³; (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