Octadecanoic acid 2,3-dihydroxypropyl ester

Compound Structure:

Synonyms:

2,3-dihydroxypropyl octadecanoate; Glyceryl monostearate; Monostearin; Glycerol monostearate; Glyceryl stearate; Tegin; 1-Stearoyl-rac-glycerol; 1-MONOSTEARIN; Glycerin 1-monostearate; Stearin, 1-mono-; Stearic acid 1-monoglyceride

Compound ID:

NMPC-1347

PubChem ID:

24699

Molecular Formula:

C21H42O4

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O

InChIKey:

VBICKXHEKHSIBG-UHFFFAOYSA-N

About the compound:

GHS Hazard Statements

Not Classified

Reported as not meeting GHS hazard criteria by 690 of 693 companies (only ~ 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	358.6 g/mol
XLogP3	7.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	20
Exact Mass	358.30830982 g/mol
Monoisotopic Mass	358.30830982 g/mol
Topological Polar Surface Area	66.8Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	281
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Physical Description	The product varies from a pale yellow to pale brown oily liquid to a white or slightly off-white hard waxy solid. The solids may be in the form of flakes, powders or small beads
Solubility	Insoluble in water, soluble in ethanol and toluene at 50 °C

Source: PubChem

Source Species:

Persea americana
Piper guineense

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