Structure

Sodium Stearate

CAS
822-16-2
Catalog Number
ACM822162
Category
Anionic Surfactants; Soaps of Fatty Acids
Molecular Weight
306.46
Molecular Formula
C18H35NaO2

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Specification

Description
Vegetable-based aqueous thickener and gelling agent, emulsifying agent (o/w), and cleansing agent. Consists primarily of the sodium salts of saturated C16 & C18 fatty acids. Particle size (thru 100 mesh) approx. 0.4 micrometers.
Synonyms
Stearic acid, sodium salt
IUPAC Name
Sodium;octadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].[Na+]
InChI
RYYKJJJTJZKILX-UHFFFAOYSA-M
InChI Key
InChI=1S/C18H36O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
Melting Point
245 – 255ºC
Flash Point
162.4ºC
Density
1.103 g/cm³
Solubility
Soluble in hot water, alcohol and esters
Appearance
Off-white powder
Application
Stick cosmetics (e.g. deodorants), color cosmetics, soaps, creams, lotions, sunscreens, after sun care products.
Storage
Store in a closed container at a dry place at room temperature
CNo.Chain
C18:0
Complexity
207
Composition
Sodium stearate
Covalently-Bonded Unit Count
2
Defined Atom Stereocenter Count
0
Exact Mass
306.25347464
Features And Benefits
Multi-functional ingredient with thickening, gelling, and emulsifying propertiesWidely used as thickener in stick products (e.g. deodorants) and co-emulsifier in cream and lotions
Heavy Atom Count
21
HS Code
3402130000
Hydrogen Bond Acceptor Count
2
Hydrogen Bond Donor Count
0
LogP
4.99780
Monoisotopic Mass
306.25347464
Physical State
Solid
PSA
4.13
Rotatable Bond Count
16
Safety Description
24/25
Sodium Derivative Of
Stearate
Stability
Stable. Incompatible with strong oxidizing agents.
Storage Conditions
2-8ºC
Supplemental Hazard Statements
H319-H411
Symbol
GHS07,GHS09
Topological Polar Surface Area
40.1 Ų
WGK Germany
1
What is the molecular formula of Sodium Stearate?

The molecular formula of Sodium Stearate is C18H35NaO2.

What is the molecular weight of Sodium Stearate?

The molecular weight of Sodium Stearate is 306.5 g/mol.

What are some synonyms for Sodium Stearate?

Some synonyms for Sodium Stearate include Sodium octadecanoate and Octadecanoic acid, sodium salt.

When was Sodium Stearate created and last modified?

Sodium Stearate was created on 2005-07-19 and last modified on 2023-12-30.

What is the role of Sodium Stearate?

Sodium Stearate has a role as a detergent.

What is the IUPAC name of Sodium Stearate?

The IUPAC name of Sodium Stearate is sodium octadecanoate.

What is the InChIKey of Sodium Stearate?

The InChIKey of Sodium Stearate is RYYKJJJTJZKILX-UHFFFAOYSA-M.

What is the CAS number for Sodium Stearate?

The CAS number for Sodium Stearate is 822-16-2.

How many hydrogen bond acceptor counts does Sodium Stearate have?

Sodium Stearate has 2 hydrogen bond acceptor counts.

What is the topological polar surface area of Sodium Stearate?

The topological polar surface area of Sodium Stearate is 40.1 Ų.

Upstream Synthesis Route 1

  • 57-11-4
  • 822-16-2

Reference: [1] Patent: CN106187745, 2016, A, . Location in patent: Paragraph 0040-0046

Downstream Synthesis Route 1

  • 96-11-7
  • 822-16-2
  • 555-43-1

Reference: [1] Z.B., 1903, vol. 44, p. 86

Downstream Synthesis Route 2

  • 822-16-2
  • 555-43-1

Reference: [1] Chemische Berichte, 1903, vol. 36, p. 2767[2] Chem. Zentralbl., 1904, vol. 75, # II, p. 413

Downstream Synthesis Route 3

  • 96-13-9
  • 822-16-2
  • 51063-97-9

Reference: [1]Journal of the American Chemical Society,1914,vol. 36,p. 540
[2],1903,vol. 44,p. 86

Downstream Synthesis Route 4

  • 554-10-9
  • 822-16-2
  • 22610-63-5

Reference: [1]Chemische Berichte,1926,vol. 59,p. 695
[2],1927,p. 1

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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