CAS No.5793-94-2,calcium bis(2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl) distearate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5793-94-2
Name:	calcium bis(2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl) distearate

Formula:	C₄₈H₈₆CaO₁₂
Molecular Weight:	895.2672
Synonyms:	Calcium Stearoyl Lactylate;Octadecanoicacid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt (9CI);Stearic acid, ester with lactate of lactic acid, Ca salt (6CI);Stearic acid,ester with lactic acid bimol. ester calcium salt (7CI,8CI);Admul CSL 2010;Artodan CP 80;Beolac CS 100P;Calcium stearoxyl-2-lactylate;Calciumstearoyl-2-lactylate;Calcium stearoyl-2-lactyllactate;Calciumstearoyllactylate;Calcium stearyl lactylate;Calcium stearyl-2-lactylate;Calcium a-[a-(stearoyloxy)propionyloxy]propionate;E 482;Emalsy B1-1000;Grindsted CSL-P 80;LAA;Lamegin CSL;Pationic 930;Pationic 940;Stearyl-2-lactylic acid calcium salt;Verv;Verv-Ca;
EINECS:	227-335-7
Melting Point:	45.7-48.7 °C
Boiling Point:	532.7 °C at 760 mmHg
Flash Point:	166.2 °C
PSA:	185.46000
LogP:	9.72240

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Specification

The Octadecanoic acid,2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt (2:1) is an organic compound with the formula C₄₈H₈₆CaO₁₂. The IUPAC name of this chemical is calcium 2-(2-octadecanoyloxypropanoyloxy)propanoate. With the CAS registry number 5793-94-2, it is also named as Calcium stearyl lactylate.

Physical properties about Octadecanoic acid,2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt (2:1) are: (1)ACD/LogP: 9.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.53; (4)ACD/LogD (pH 7.4): 5.7; (5)ACD/BCF (pH 5.5): 10863.86; (6)ACD/BCF (pH 7.4): 1612.67; (7)ACD/KOC (pH 5.5): 4069.99; (8)ACD/KOC (pH 7.4): 604.16; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 22; (12)Polar Surface Area: 89.9 Å²; (13)Flash Point: 166.2 °C; (14)Enthalpy of Vaporization: 88.45 kJ/mol; (15)Boiling Point: 532.7 °C at 760 mmHg; (16)Vapour Pressure: 9.06E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [Ca+2].O=C(OC(C(=O)OC(C([O-])=O)C)C)CCCCCCCCCCCCCCCCC.[O-]C(=O)C(OC(=O)C(OC(=O)CCCCCCCCCCCCCCCCC)C)C
(2)InChI: InChI=1/2C24H44O6.Ca/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h2*20-21H,4-19H2,1-3H3,(H,26,27);/q;;+2/p-2
(3)InChIKey: OEUVSBXAMBLPES-NUQVWONBAJ
(4)Std. InChI: InChI=1S/2C24H44O6.Ca/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h2*20-21H,4-19H2,1-3H3,(H,26,27);/q;;+2/p-2
(5)Std. InChIKey: OEUVSBXAMBLPES-UHFFFAOYSA-L