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Dicyclopropyl ketone

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Name

Dicyclopropyl ketone

EINECS 214-331-5
CAS No. 1121-37-5 Density 1.174 g/cm3
PSA 17.07000 LogP 1.37550
Solubility Soluble in water. Melting Point 44.0-44.5 °C
Formula C7H10O Boiling Point 161 °C at 760 mmHg
Molecular Weight 110.156 Flash Point 39.4 °C
Transport Information UN 1224 3/PG 3 Appearance clear colourless to yellowish liquid
Safety 16-36-26-3 Risk Codes 10-36/37/38-20/21/22-5
Molecular Structure Molecular Structure of 1121-37-5 (Dicyclopropyl ketone) Hazard Symbols FlammableF; HarmfulXn
Synonyms

Dicyclopropylmethanone;NSC 49148;Cyclopropylketone (6CI,7CI,8CI);

Article Data 43

Dicyclopropyl ketone Specification

The Dicyclopropyl ketone, with CAS registry number 1121-37-5, belongs to the following product categories: (1)Pharmaceutical Intermediates; (2)Cyclopropanes; (3)Simple 3-Membered Ring Compounds; (4)C7 to C8; (5)Carbonyl Compounds; (6)Ketones. It has the systematic name of dicyclopropylmethanone. This chemical is a kind of clear colourless to yellowish liquid. And the main use of this chemical is the pharmaceutical intermediates and organic synthesis.

Physical properties of Dicyclopropyl ketone: (1)ACD/LogP: 0.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.58; (4)ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1.61; (6)ACD/BCF (pH 7.4): 1.61; (7)ACD/KOC (pH 5.5): 49.03; (8)ACD/KOC (pH 7.4): 49.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 30.24 cm3; (15)Molar Volume: 93.7 cm3; (16)Polarizability: 11.98×10-24cm3; (17)Surface Tension: 52.4 dyne/cm; (18)Enthalpy of Vaporization: 39.76 kJ/mol; (19)Vapour Pressure: 2.32 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Dicyclopropyl ketone is flammable, so keep it away from sources of ignition. And this chemical is harmful by inhalation, in contact with skin and if swallowed. After heating, it  may cause an explosion, ao keep it in a cool place. This chemical irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If 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=C(C1CC1)C2CC2
(2)InChI: InChI=1/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
(3)InChIKey: BIPUHAHGLJKIPK-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2
(5)Std. InChIKey: BIPUHAHGLJKIPK-UHFFFAOYSA-N

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