SODIUM STEAROYL-2-LACTYLATE

Relevant Data

Food Additives Approved by WHO:

SODIUM STEAROYL-2-LACTYLATE [show]

Food Additives Approved by European Union:

Sodium stearoyl-2-lactylate [show]

General Information

Mainterm	SODIUM STEAROYL-2-LACTYLATE
Doc Type	ASP
CAS Reg.No.(or other ID)	25383-99-7
Regnum	177.1200 172.846

From www.fda.gov

Computed Descriptors

2D Structure
CID	23671849
IUPAC Name	sodium;2-(2-octadecanoyloxypropanoyloxy)propanoate
InChI	InChI=1S/C24H44O6.Na/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);/q;+1/p-1
InChI Key	ODFAPIRLUPAQCQ-UHFFFAOYSA-M
Canonical SMILES	CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C(=O)[O-].[Na+]
Molecular Formula	C21H39O4Na; C19H35O4Na (major components)
Wikipedia	sodium stearoyl lactylate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	450.592
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	22
Complexity	469.0
CACTVS Substructure Key Fingerprint	A A A D c f B 4 O 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 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	92.7
Monoisotopic Mass	450.296
Exact Mass	450.296
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	31
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	2

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	Carboxylic acid esters Fatty acid esters Carboxylic acids Hydrocarbon derivatives Organic oxides Organic sodium salts Carbonyl compounds Carboxylic acid salts
Molecular Framework	Aliphatic acyclic compounds
Substituents	Tricarboxylic acid or derivatives - Fatty acid ester - Fatty acyl - Carboxylic acid salt - Carboxylic acid ester - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - 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