CALCIUM STEAROYL-2-LACTYLATE
Relevant Data
Food Additives Approved in the United States
Food Additives Approved by European Union:
General Information
| Chemical Names: | MAJOR COMPONENTS: CALCIUM DI-2-STEAROYL LACTATE; CALCIUM DI-(2- STEAROYLOXY)PROPIONATE |
| CAS number: | 5793-94-2 |
| INS: | 482(i) |
| Functional Class: |
Food Additives EMULSIFIER STABILIZER |
From apps.who.int
Evaluations
| Evaluation year: | 1973 |
| ADI: | 0-20 mg/kg bw |
| Meeting: | 46 |
| Specs Code: | R (1996) |
| Report: | NMRS 53/TRS 539-JECFA 17/37 |
| Tox Monograph: | FAS 5/NMRS 53A-JECFA 17/505 |
| Specification: | COMPENDIUM ADDENDUM 8/FNP 52 Add.8/203 (METALS LIMITS) (2000); FAO JECFA Monographs 1 vol.1/267 |
From apps.who.int
GSFA Provisions for CALCIUM STEAROYL-2-LACTYLATE
| Number | Food Category | Max Level | Notes |
|---|---|---|---|
| 01.3.2 | Beverage whiteners |
3,000 mg/kg | Note XS252,Note XS250 |
| 05.2 | Confectionery including hard and soft candy, nougats, etc. other than food categories 05.1, 05.3 and 05.4 |
5,000 mg/kg | Note XS309R |
| 01.4.4 | Cream analogues |
5,000 mg/kg | Note 2 |
| 01.7 | Dairy-based desserts (e.g. pudding, fruit or flavoured yoghurt) |
5,000 mg/kg | Note 355 |
| 06.4.2 | Dried pastas and noodles and like products |
5,000 mg/kg | Note 211 |
| 04.2.2.2 | Dried vegetables (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera), seaweeds, and nuts and seeds |
5,000 mg/kg | Note 76 |
| 03.0 | Edible ices, including sherbet and sorbet |
5,000 mg/kg | Note 15 |
| 06.2.1 | Flours |
5,000 mg/kg | Note 186 |
| 04.1.2.8 | Fruit preparations, including pulp, purees, fruit toppings and coconut milk |
2,000 mg/kg | Note XS314R,Note XS240 |
| 08.3.2 | Heat-treated processed comminuted meat, poultry, and game products |
2,000 mg/kg | Note XS98,Note XS88,Note XS89 |
| 08.2.2 | Heat-treated processed meat, poultry, and game products in whole pieces or cuts |
2,000 mg/kg | Note XS96,Note 373,Note XS97 |
| 06.4.3 | Pre-cooked pastas and noodles and like products |
5,000 mg/kg | Note 371,Note 194 |
| 07.1.1.1 | Yeast-leavened breads and specialty breads |
3,000 mg/kg | Note 388 |
From www.fao.org
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 22037 |
| IUPAC Name | calcium;2-(2-octadecanoyloxypropanoyloxy)propanoate |
| 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 |
| InChI Key | OEUVSBXAMBLPES-UHFFFAOYSA-L |
| Canonical SMILES | CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Ca+2] |
| Molecular Formula | C42H78O8Ca; C38H70O8Ca, C40H74O8Ca (major components) |
| Wikipedia | sodium stearoyl lactylate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 895.282 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 42 |
| Complexity | 457.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 8 P A A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C B S g g A I C C A A A B A A I A A C Q C A I A A A A A A A A A A A F A A A A B A B I A A A Q C A A A E A A A C A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 186.0 |
| Monoisotopic Mass | 894.575 |
| Exact Mass | 894.575 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 61 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem
Taxonomic Classification
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Tricarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tricarboxylic acids and derivatives |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid salt - Carboxylic acid ester - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups. |
From ClassyFire