CAS No.66085-00-5,GLYCEROL MONOISOSTEARATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	66085-00-5
Name:	GLYCEROL MONOISOSTEARATE

Formula:	C₂₁H₄₂O₄
Molecular Weight:	358.56
Synonyms:	1,3-dihydroxypropan-2-yl 16-methylheptadecanoate;Prisorine GMIS 2040;Isostearic acid, 1,2,3-propaneriol ester (1:1);Schercemol GMIS;Glycerol monoisostearate;Isooctadecanoic acid, monoester with 1,2,3-propanetriol;Glyceryl monoisostearate;Isooctadecanoic acid,monoester with 1,2,3-propanetriol;Isooctadecanoic acid, monoester with glycerol;32057-14-0;Glyceryl isostearate;
EINECS:	266-124-4
Density:	0.957 g/cm³
Boiling Point:	481.5 °C at 760 mmHg
Flash Point:	153.8 °C
PSA:	66.76000
LogP:	5.00020

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Specification

The CAS register number of Imwitor 780K is 66085-00-5. It also can be called as Glyceryl monoisostearate and the IUPAC name about this chemical is 1,3-dihydroxypropan-2-yl 16-methylheptadecanoate. The molecular formula about this chemical is C₂₁H₄₂O₄ and the molecular weight is 358.56. If you want to store this chemical, you should keep the container tightly sealed in dry, cool places. It should avoid oxide, water, light, fire, heat, high temperature, electrostatic charge, ignition source and strong acids.

Physical properties about Imwitor 780K are: (1)ACD/LogP: 7.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.27; (4)ACD/LogD (pH 7.4): 7.27; (5)ACD/BCF (pH 5.5): 198792.03; (6)ACD/BCF (pH 7.4): 198791.81; (7)ACD/KOC (pH 5.5): 215858.86; (8)ACD/KOC (pH 7.4): 215858.61; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 104.1 cm³; (15)Molar Volume: 374.4 cm³; (16)Polarizability: 41.26x10^-24cm³; (17)Surface Tension: 36.5 dyne/cm; (18)Density: 0.957 g/cm³; (19)Flash Point: 153.8 °C; (20)Enthalpy of Vaporization: 86 kJ/mol; (21)Boiling Point: 481.5 °C at 760 mmHg; (22)Vapour Pressure: 2.7E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(CO)CO)CCCCCCCCCCCCCCC(C)C
(2)InChI: InChI=1/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-20(17-22)18-23/h19-20,22-23H,3-18H2,1-2H3
(3)InChIKey: MQXVQTFGCRTCRG-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C21H42O4/c1-19(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(24)25-20(17-22)18-23/h19-20,22-23H,3-18H2,1-2H3
(5)Std. InChIKey: MQXVQTFGCRTCRG-UHFFFAOYSA-N