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Calcium Stearoyl-2-Lactylate
CAS: 5793-94-2 | C24H44CaO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5793-94-2
Molecular Formula:
C24H44CaO6
Molecular Mass:
468.69 g/mol
Names and Synonyms:
Calcium Stearoyl-2-Lactylate
Octadecanoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt (2:1)
Stearic acid, ester with lactic acid bimol. ester calcium salt
Octadecanoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt
Stearic acid, ester with lactate of lactic acid, Ca salt
Stearyl-2-lactylic acid calcium salt
Verv-Ca
Calcium α-[α-(stearoyloxy)propionyloxy]propionate
Calcium stearoyl-2-lactyllactate
Calcium stearyl-2-lactylate
Calcium stearyl lactylate
Calcium stearoxyl-2-lactylate
Calcium stearoyllactylate
Calcium stearoyl-2-lactylate
Lamegin CSL
LAA
Verv
Artodan CP 80
Emalsy B 1-1000
Pationic 930
Pationic 940
Beolac CS 100P
CSL
E 482
Grindsted CSL-P 80
Admul CSL 2010
Pationic CSL
Berufu
Calcium stearyl lactate
Identifiers:
SMILES:
CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.[Ca]
InChI:
InChI=1S/C24H44O6.Ca/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27);
Key Properties
Melting Point
45.7-48.7 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.69 g/mol | CAS Common Chemistry |
| 468.6880000000001 g/mol | RDKit | |
| 468.2763801079999 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_stearoyl-2-lactylate | CAS Common Chemistry |
| Canonical SMILES | [Ca].O=C(OC(C(=O)OC(C(=O)O)C)C)CCCCCCCCCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C24H44O6.Ca/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)29-21(3)24(28)30-20(2)23(26)27;/h20-21H,4-19H2,1-3H3,(H,26,27); | CAS Common Chemistry |
| InChI Key | InChIKey=BZIFRWUXIYDWJP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 45.7-48.7 °C | CAS Common Chemistry |
| Name | Calcium stearoyl-2-lactylate | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 20 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 89.90000000000002 Ų | RDKit |
| LogP | 5.815100000000005 | RDKit |
| Molar Refractivity | 124.04380000000012 | RDKit |
