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20052-60-2

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Basic Information
CAS No.: 20052-60-2
Name: 7-HYDROXY-2,2,5-TRIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE
Article Data: 7
Molecular Structure:
Molecular Structure of 20052-60-2 (7-HYDROXY-2,2,5-TRIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE)
Formula: C12H14O3
Molecular Weight: 206.2378
Synonyms: 7-Hydroxy-2,2,5-trimethyl-2,3-dihydro-4h-chromen-4-one;
Density: 1.165 g/cm3
Melting Point: 189 °C
Boiling Point: 369.2 °C at 760 mmHg
Flash Point: 144.4 °C
Appearance: off-white
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 46.53000
LogP: 2.44440
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Specification

The 4H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2,2,5-trimethyl-, with the CAS registry number 20052-60-2, is also known as 7-Hydroxy-2,2,5-trimethyl-2,3-dihydro-4h-chromen-4-one. This chemical's molecular formula is C12H14O3 and molecular weight is 206.2378. What's more, its systematic name which is called 7-Hydroxy-2,2,5-trimethyl-2,3-dihydro-4H-chromen-4-one.

Physical properties about H-1-Benzopyran-4-one,2,3-dihydro-7-hydroxy-2,2,5-trimethyl- are: (1)ACD/LogP: 3.36; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 210.44; (6)ACD/BCF (pH 7.4): 159.21; (7)ACD/KOC (pH 5.5): 1599.56; (8)ACD/KOC (pH 7.4): 1210.12; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.547; (14)Molar Refractivity: 56.19 cm3; (15)Molar Volume: 176.9 cm3; (16)Polarizability: 22.27×10-24 cm3; (17)Surface Tension: 41 dyne/cm; (18)ensity: 1.165 g/cm3; (19)Flash Point: 144.4 °C; (20)Enthalpy of Vaporization: 64.02 kJ/mol; (21)Boiling Point: 369.2 °C at 760 mmHg; (22)Vapour Pressure: 5.67E-06 mmHg at 25 °C; (23)Melting Point: 189 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting 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: O=C1c2c(OC(C1)(C)C)cc(O)cc2C
(2) InChI: InChI=1/C12H14O3/c1-7-4-8(13)5-10-11(7)9(14)6-12(2,3)15-10/h4-5,13H,6H2,1-3H3
(3) InChIKey: RDRXIUHZBNIYAV-UHFFFAOYAM