CAS No.5122-77-0,4-HYDROXY-1-METHYLBICYCLO[2.2.2]OCTAN-2-ONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5122-77-0
Name:	4-HYDROXY-1-METHYLBICYCLO[2.2.2]OCTAN-2-ONE
Article Data:	9

Formula:	C₉H₁₄O₂
Molecular Weight:	154.21
Synonyms:	Bicyclo[2.2.2]octanone, 4-hydroxy-1-methyl-(8CI,9CI);1-Hydroxy-4-methyl-3-oxobicyclo[2.2.2]octane;NSC 177419;Bicyclo[2.2.2]octan-2-one,4-hydroxy-1-methyl- (7CI);
Density:	1.224 g/cm³
Melting Point:	55-56 °C
Boiling Point:	252 °C at 760 mmHg
Flash Point:	104 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	37.30000
LogP:	1.27060

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- China (Mainland)(14)
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Specification

The CAS register number of Bicyclo[2.2.2]octan-2-one,4-hydroxy-1-methyl- is 5122-77-0. It also can be called as 1-Hydroxy-4-methyl-3-oxobicyclo[2.2.2]octane and the systematic name about this chemical is 4-hydroxy-1-methylbicyclo[2.2.2]octan-2-one. The molecular formula about this chemical is C₉H₁₄O₂ and the molecular weight is 154.21.

Physical properties about Bicyclo[2.2.2]octan-2-one,4-hydroxy-1-methyl- are: (1)ACD/LogP: 0.08; (2)#H bond acceptors: 2; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 26.3 Å²; (6)Index of Refraction: 1.567; (7)Molar Refractivity: 41.17 cm³; (8)Molar Volume: 125.9 cm³; (9)Polarizability: 16.32x10^-24cm³; (10)Surface Tension: 57 dyne/cm; (11)Density: 1.224 g/cm³; (12)Flash Point: 104 °C; (13)Enthalpy of Vaporization: 56.85 kJ/mol; (14)Boiling Point: 252 °C at 760 mmHg; (15)Vapour Pressure: 0.00309 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye and 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)SMILES: O=C1CC2(O)CCC1(CC2)C
(2)InChI: InChI=1/C9H14O2/c1-8-2-4-9(11,5-3-8)6-7(8)10/h11H,2-6H2,1H3
(3)InChIKey: RZVOELWTDCTKLK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C9H14O2/c1-8-2-4-9(11,5-3-8)6-7(8)10/h11H,2-6H2,1H3
(5)Std. InChIKey: RZVOELWTDCTKLK-UHFFFAOYSA-N