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CAS No.: | 99433-89-3 |
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Name: | 4-CYCLOHEXYLPHENYLGLYOXAL HYDRATE |
Molecular Structure: | |
Formula: | C14H18O3 |
Molecular Weight: | 234.29 |
Synonyms: | 4-Cyclohexylphenylglyoxal hydrate 95%; |
EINECS: | 604-604-1 |
Boiling Point: | 405 °C at 760 mmHg |
Flash Point: | 198.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
PSA: | 43.37000 |
LogP: | 3.05160 |
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The Ethanone,1-(4-cyclohexylphenyl)-2,2-dihydroxy-, with the CAS registry number 99433-89-3, is also known as 4-Cyclohexylphenylglyoxal hydrate 95%. This chemical's molecular formula is C14H18O3 and molecular weight is 234.2909. Its systematic name is called 2-(4-cyclohexylphenyl)-2-oxo-acetaldehyde hydrate. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of Ethanone,1-(4-cyclohexylphenyl)-2,2-dihydroxy-: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Flash Point: 198.7 °C; (9)Enthalpy of Vaporization: 69.23 kJ/mol; (10)Boiling Point: 405 °C at 760 mmHg; (11)Vapour Pressure: 2.76E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1C2CCCCC2)C(=O)C=O.O
(2)InChI: InChI=1/C14H16O2.H2O/c15-10-14(16)13-8-6-12(7-9-13)11-4-2-1-3-5-11;/h6-11H,1-5H2;1H2
(3)InChIKey: BYPHDBHOPFJXBM-UHFFFAOYAI