CAS No.139-44-6,1,2,3-propanetriyl tris(12-hydroxyoctadecanoate) Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	139-44-6
Name:	1,2,3-propanetriyl tris(12-hydroxyoctadecanoate)

Formula:	C₅₇H₁₁₀O₉
Molecular Weight:	939.495
Synonyms:	Octadecanoicacid, 12-hydroxy-, 1,2,3-propanetriyl ester (8CI,9CI);Octadecanoic acid,12-hydroxy-, triester with glycerol (6CI,7CI);Glycerol,tris(12-hydroxyoctadecanoate) (8CI);12-Hydroxystearic acid triglyceride;Glycerol tris(12-hydroxystearate);Glyceryltris(12-hydroxystearate);Octadecanoic acid,12-hydroxy-, 1,1',1''-(1,2,3-propanetriyl) ester;NSC 2389;Tri-12-hydroxystearin;Trihydroxystearin;
EINECS:	205-364-6
Density:	0.964 g/cm³
Melting Point:	89.4 °C
Boiling Point:	872.4 °C at 760 mmHg
Flash Point:	220.1 °C
PSA:	139.59000
LogP:	15.68150

Synthetic route

: 15505-14-3
castor oil

: 139-44-6
glyseryl-tris(12-hydroxystearate)

Conditions

Conditions	Yield
durch Reduktion;

castor oil: castor oil

: 139-44-6
glyseryl-tris(12-hydroxystearate)

Conditions

Conditions	Yield
With nickel Hydrogenation;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: 1,2,3-tris-(12-oxo-octadecanoyloxy)-propane

Conditions

Conditions	Yield
With nickel kieselguhr at 185 - 275℃;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

nickel kieselguhr: nickel kieselguhr

glycerol-tris-<12-oxo stearate >: glycerol-tris-<12-oxo stearate >

Conditions

Conditions	Yield
at 185 - 275℃;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: 4098-71-9
isophorone diisocyanate

polymer, product of polymerization of hydrogenated castor oil and isophorone diisocyanate: polymer, product of polymerization of hydrogenated castor oil and isophorone diisocyanate

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; triethanolamine In xylene at 80 - 120℃; for 30h;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: 4098-71-9
isophorone diisocyanate

polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.0; composition (wt percent): polyurethane/poly(butyl methacrylate) = 75/25; tensile strength = 2.8 MPa: polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.0; composition (wt percent): polyurethane/poly(butyl methacrylate) = 75/25; tensile strength = 2.8 MPa

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; triethanolamine In xylene at 80 - 120℃; for 30h;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: 4098-71-9
isophorone diisocyanate

polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.2; composition (wt percent): polyurethane/poly(butyl methacrylate) = 25/75; tensile strength = 1.4 MPa: polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.2; composition (wt percent): polyurethane/poly(butyl methacrylate) = 25/75; tensile strength = 1.4 MPa

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; triethanolamine In xylene at 80 - 120℃; for 30h;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: 4098-71-9
isophorone diisocyanate

polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.2; composition (wt percent): polyurethane/poly(butyl methacrylate) = 50/50; tensile strength = 2.5 MPa: polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.2; composition (wt percent): polyurethane/poly(butyl methacrylate) = 50/50; tensile strength = 2.5 MPa

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; triethanolamine In xylene at 80 - 120℃; for 30h;

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: 4098-71-9
isophorone diisocyanate

polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.2; composition (wt percent): polyurethane/poly(butyl methacrylate) = 75/25; tensile strength = 3.6 MPa: polymer, product of radical polymerization of polyurethane and butyl methacrylate; NCO/OH ratio: 2.2; composition (wt percent): polyurethane/poly(butyl methacrylate) = 75/25; tensile strength = 3.6 MPa

Conditions

Conditions	Yield
With dibutyltin(II) dilaurate; triethanolamine In xylene at 80 - 120℃; for 30h;

: 4530-20-5
BOC-glycine

: 139-44-6
glyseryl-tris(12-hydroxystearate)

: C78H143N3O18

Conditions

Conditions	Yield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 45℃; for 48h; Darkness;

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Specification

The Glyceryl tris(12-hydroxystearate), with the CAS registry number 139-44-6, is also known as Propane-1, 2, 3-triyl tris(12-hydroxyoctadecanoatato). Its EINECS registry number is 205-364-6. This chemical's molecular formula is C₅₇H₁₁₀O₉ and molecular weight is 939.4779. What's more, its IUPAC name is 2, 3-Bis(12-hydroxyoctadecanoyloxy)propyl 12-hydroxyoctadecanoate.

Physical properties about Glyceryl tris(12-hydroxystearate) are: (1)ACD/LogP: 18.70; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 18.7; (4)ACD/LogD (pH 7.4): 18.7; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 59; (12)Polar Surface Area: 106.59 Å²; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 275.88 cm³; (15)Molar Volume: 973.8 cm³; (16)Polarizability: 109.36×10^-24 cm³; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 0.964 g/cm³; (19)Flash Point: 220.1 °C; (20)Enthalpy of Vaporization: 144.06 kJ/mol; (21)Boiling Point: 872.4 °C at 760 mmHg; (22)Vapour Pressure: 1.51E-35 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(OC(=O)CCCCCCCCCCC(O)CCCCCC)COC(=O)CCCCCCCCCCC(O)CCCCCC)CCCCCCCCCCC(O)CCCCCC
(2) InChI: InChI=1/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3
(3) InChIKey: WCOXQTXVACYMLM-UHFFFAOYAI