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CAS No.: | 1593-77-7 |
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Name: | DODEMORPH |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C18H35NO |
Molecular Weight: | 281.482 |
Synonyms: | Cyclododecane,morpholine deriv.;Meltatox;Dodemorph;Doazine; |
EINECS: | 250-778-2 |
Density: | 0.893 g/cm3 |
Melting Point: | 161-162 °C |
Boiling Point: | 372.1 °C at 760 mmHg |
Flash Point: | 109.7 °C |
Solubility: | Solubility in water |
Appearance: | Yellow-brown emulsion, mild odour |
Hazard Symbols: | Xi, N |
Risk Codes: | 36/37/38-51/53 |
Safety: | 26-61 |
PSA: | 12.47000 |
LogP: | 4.70680 |
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, |