Back to Search
Molecule
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
Identifiers
CAS Registry Number
5793-94-2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)O.[Ca]
InChI Key
BZIFRWUXIYDWJP-UHFFFAOYSA-N
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);
Names and Synonyms
- Calcium Stearoyl-2-Lactylate Common Name
- Octadecanoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt (2:1) Synonym
- Stearic acid, ester with lactic acid bimol. ester calcium salt Synonym
- Octadecanoic acid, 2-(1-carboxyethoxy)-1-methyl-2-oxoethyl ester, calcium salt Synonym
- Stearic acid, ester with lactate of lactic acid, Ca salt Synonym
- Stearyl-2-lactylic acid calcium salt Synonym
- Verv-Ca Synonym
- Calcium α-[α-(stearoyloxy)propionyloxy]propionate Synonym
- Calcium stearoyl-2-lactyllactate Synonym
- Calcium stearyl-2-lactylate Synonym
- Calcium stearyl lactylate Synonym
- Calcium stearoxyl-2-lactylate Synonym
- Calcium stearoyllactylate Synonym
- Calcium stearoyl-2-lactylate Synonym
- Lamegin CSL Synonym
- LAA Synonym
- Verv Synonym
- Artodan CP 80 Synonym
- Emalsy B 1-1000 Synonym
- Pationic 930 Synonym
- Pationic 940 Synonym
- Beolac CS 100P Synonym
- CSL Synonym
- E 482 Synonym
- Grindsted CSL-P 80 Synonym
- Admul CSL 2010 Synonym
- Pationic CSL Synonym
- Berufu Synonym
- Calcium stearyl lactate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.69 g/mol | CAS Common Chemistry |
| 468.6880000000001 g/mol | RDKit | |
| 468.688 g/mol | RDKit | |
| 470.704 g/mol | chempirical lib | |
| 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 |
| 89.9 Ų | RDKit | |
| LogP | 5.815100000000005 | RDKit |
| 5.8151 | RDKit | |
| Molar Refractivity | 124.04380000000012 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 468.2763801079999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 468.69 g/mol. Edit any field — others recompute live.
