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Dodemorph

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Name

Dodemorph

EINECS 250-778-2
CAS No. 1593-77-7 Density 0.893 g/cm3
PSA 12.47000 LogP 4.70680
Solubility Solubility in water Melting Point 161-162 °C
Formula C18H35NO Boiling Point 372.1 °C at 760 mmHg
Molecular Weight 281.482 Flash Point 109.7 °C
Transport Information N/A Appearance Yellow-brown emulsion, mild odour
Safety 26-61 Risk Codes 36/37/38-51/53
Molecular Structure Molecular Structure of 1593-77-7 (DODEMORPH) Hazard Symbols IrritantXi, DangerousN
Synonyms

Cyclododecane,morpholine deriv.;Meltatox;Dodemorph;Doazine;

Article Data 5

Dodemorph Specification

The Morpholine,4-cyclododecyl-2,6-dimethyl- is an organic compound with the formula C18H35NO. The IUPAC name of this chemical is 4-Cyclododecyl-2,6-dimethylmorpholine. With the CAS registry number 1593-77-7, it is also named as 4-Cyclododecyl-2,6-dimethylmorpholin. Besides, its molecular weight is 281.48.

Physical properties about Morpholine,4-cyclododecyl-2,6-dimethyl- are: (1)ACD/LogP: 6.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 4.92; (5)ACD/BCF (pH 5.5): 42.36; (6)ACD/BCF (pH 7.4): 1669.48; (7)ACD/KOC (pH 5.5): 82.55; (8)ACD/KOC (pH 7.4): 3253.24; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 86.41 cm3; (14)Molar Volume: 315 cm3; (15)Polarizability: 34.25×10-24 cm3; (16)Surface Tension: 29.2 dyne/cm; (17)Density: 0.893 g/cm3; (18)Flash Point: 109.7 °C; (19)Enthalpy of Vaporization: 61.92 kJ/mol; (20)Boiling Point: 372.1 °C at 760 mmHg; (21)Vapour Pressure: 9.85E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is toxic to aquatic organisms. It may cause long-term adverse effects in the aquatic environment. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/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)InChI: InChI=1/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3
(2)InChIKey: JMXKCYUTURMERF-UHFFFAOYAH
(3)Std. InChI: InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3
(4)Std. InChIKey: JMXKCYUTURMERF-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC50 inhalation

5gm/m3)/4H (5000mg/m3)

  Pesticide Manual. Vol. 9, Pg. 325, 1991.
rat LD50 oral 2645mg/kg (2645mg/kg)   Pesticide Manual. Vol. 9, Pg. 325, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A172, Pg. 1983,

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