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Name |
1-Adamantyl methyl ketone |
EINECS | 216-761-9 |
CAS No. | 1660-04-4 | Density | 1.077 g/cm3 |
PSA | 17.07000 | LogP | 2.79180 |
Solubility | Soluble in methanol- very faint turbidity. Insoluble in water. | Melting Point |
53-55 °C(lit.) |
Formula | C12H18O | Boiling Point | 262.3 °C at 760 mmHg |
Molecular Weight | 178.274 | Flash Point | 108.3 °C |
Transport Information | N/A | Appearance | white crystalline powder |
Safety | 24/25-36-26 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Ketone,1-adamantyl methyl (6CI,7CI,8CI);1-(1-Adamantyl)ethanone;1-Acetyladamantane;Ethanone,1-tricyclo[3.3.1.13,7]dec-1-yl-;Adamantyl methyl ketone;Methyl 1-adamantyl ketone;Methyl adamantyl ketone; |
Article Data | 83 |
Molecule structure of 1-Adamantyl methyl ketone (CAS NO.1660-04-4):
IUPAC Name: 1-(1-Adamantyl)ethanone
Molecular Weight: 178.27072 g/mol
Molecular Formula: C12H18O
Density: 1.077 g/cm3
Melting Point: 53-55 °C(lit.)
Boiling Point: 262.3 °C at 760 mmHg
Flash Point: 108.3 °C
Index of Refraction: 1.532
Molar Refractivity: 51.32 cm3
Molar Volume: 165.4 cm3
Surface Tension: 40.5 dyne/cm
Enthalpy of Vaporization: 50.01 kJ/mol
Vapour Pressure: 0.011 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Tautomer Count: 2
Exact Mass: 178.135765
MonoIsotopic Mass: 178.135765
Topological Polar Surface Area: 17.1
Heavy Atom Count: 13
Canonical SMILES: CC(=O)C12CC3CC(C1)CC(C3)C2
InChI: InChI=1S/C12H18O/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3
InChIKey: DACIGVIOAFXPHW-UHFFFAOYSA-N
EINECS: 216-761-9
Product Categories: Adamantane derivatives; Adamantanes; C11 to C12; Carbonyl Compounds; Ketones
1-Adamantyl methyl ketone (CAS NO.1660-04-4) is used as intermediates of synthesis rimantadine hydrochloride.
Hazard Codes: Xi
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 24/25-36-26
24/25: Avoid contact with skin and eyes
36: Wear suitable protective clothing
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany: 3
Hazard Note: Irritant
1-Adamantyl methyl ketone (CAS NO.1660-04-4) is also named as Ethanone, 1-tricyclo(3.3.1.13,7)dec-1-yl- ;
Methyl tricyclo(3.3.1.13,7)dec-1-yl ketone . It is white crystalline powder.