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Magnesium Stearate(CAS No. 557-04-0)

Magnesium Stearate 2(C18H35O2)?Mg (cas 557-04-0) Molecular Structure

557-04-0 Structure

Identification and Related Records

【Name】
Magnesium Stearate
【CAS Registry number】
557-04-0
【Synonyms】
Octadecanoic acid magnesium salt
dibasicmagnesiumstearate
Dolomol
magnesiumdistearate
Magnesiumstearatemedicinal
petracmg20nf
stearatedemagnesium
MAGNESIUM OCTADECANOATE
【EINECS(EC#)】
209-150-3
【Molecular Formula】
2(C18H35O2)?Mg (Products with the same molecular formula)
【Molecular Weight】
591.25
【Inchi】
InChI=1/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
【Canonical SMILES】
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Mg+2]
【MOL File】
557-04-0.mol

Chemical and Physical Properties

【Appearance】
White powder
【Density】
1.07
【Melting Point】
130-140℃
【Boiling Point】
359.4°Cat760mmHg
【Refractive Index】
1.45 (25 C)
【Flash Point】
162.4°C
【Water】
Insoluble
【Solubilities】
Insoluble in water
【Color/Form】
LUMPS
Fine, bulky, white powder
Soft, white, light powder
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29157030
【Storage temp】
Store at RT.
【Computed Properties】
Molecular Weight:591.2436 [g/mol]
Molecular Formula:C36H70MgO4
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:30
Exact Mass:590.512453
MonoIsotopic Mass:590.512453
Topological Polar Surface Area:80.3
Heavy Atom Count:41
Formal Charge:0
Complexity:196
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:3

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety Statements 】
S26;S37/39
【Transport】
20kgs
【Formulations/Preparations】
MAGNESIUM STEARATE /IS/ COMPD OF MAGNESIUM WITH MIXTURE OF SOLID ORG ACIDS OBTAINED FROM FATS, & CONSISTS CHIEFLY OF VARIABLE PROPORTIONS OF MAGNESIUM STEARATE & MAGNESIUM PALMITATE. IT CONTAINS EQUIVALENT OF 6.8-8.0% OF MAGNESIUM OXIDE (40.30).
GRADES: TECHNICAL, USP FCC.
A TYPICAL DRY COMPRESSED ANTIPERSPIRANT STICK/CONTAINS/0.25 wt% MAGNESIUM STEARATE
【Exposure Standards and Regulations】
Substance added directly to human food affirmed as generally recognized as safe (GRAS).
An ingredient whose use in food or food packaging is subject to a prior sanction or approval within the meaning of section 201(s)(4) of the Act is exempt from classification as a food additive. ... Substances classified as stabilizers, when migrating from food-packaging material shall include: magnesium stearate.
【Specification】

The?IUPAC name of?Magnesium stearate is?magnesium octadecanoate. With the?CAS registry number 557-04-0,?it is also named as Octadecanoic acid, magnesium salt.?The product's category is Cosmetic Ingredients & Chemicals. It is?white powder which is soluble?in hot ethanol solution and?insoluble in water.?In addition,?this chemical has?good skin adhesion and?lubricity. Besides,?it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 8.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 5.63; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 16; (8)Flash Point: 162.4 °C; (9)Enthalpy of Vaporization: 63.84 kJ/mol; (10)Boiling Point: 359.4 °C at 760 mmHg; (11)Vapour Pressure: 8.58E-06 mmHg at 25°C; (12)Rotatable Bond Count: 30; (13)Exact Mass: 590.512453; (14)MonoIsotopic Mass: 590.512453; (15)Topological Polar Surface Area: 80.3; (16)Heavy Atom Count: 41; (17)Complexity: 196.

Preparation of Magnesium stearate: It can be obtained by?magnesium sulfate and?sodium stearate which is prepared by?sodium hydroxide and?stearic acid.
C17H35COOH+NaOH→C17H35COONa+H2O
2C17H35COONa+MgSO4→Mg[CH3(CH2)16COO)]2+Na2SO4?

Uses of Magnesium stearate:?It often used as a diluent in the manufacture of medical tablets, capsules and powders. It?is?not only?used to bind sugar in hard candies, but also?used as a heat stabilizer?of PVC,?lubricating agent of?ABS, amino resins, phenolic resins and urea formaldehyde resin. In addition, it is a common ingredient in baby formulas.?Besides, tis chemical can used?in the powder products to enhance adhesion and?lubrication.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.?
1. SMILES:[Mg+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
2.?InChI:InChI=1/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

【Report】

The?IUPAC name of?Magnesium stearate is?magnesium octadecanoate. With the?CAS registry number 557-04-0,?it is also named as Octadecanoic acid, magnesium salt.?The product's category is Cosmetic Ingredients & Chemicals. It is?white powder which is soluble?in hot ethanol solution and?insoluble in water.?In addition,?this chemical has?good skin adhesion and?lubricity. Besides,?it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as:?(1)ACD/LogP: 8.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 5.63; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 16; (8)Flash Point: 162.4 °C; (9)Enthalpy of Vaporization: 63.84 kJ/mol; (10)Boiling Point: 359.4 °C at 760 mmHg; (11)Vapour Pressure: 8.58E-06 mmHg at 25°C; (12)Rotatable Bond Count: 30; (13)Exact Mass: 590.512453; (14)MonoIsotopic Mass: 590.512453; (15)Topological Polar Surface Area: 80.3; (16)Heavy Atom Count: 41; (17)Complexity: 196.

Preparation of Magnesium stearate: It can be obtained by?magnesium sulfate and?sodium stearate which is prepared by?sodium hydroxide and?stearic acid.
C17H35COOH+NaOH→C17H35COONa+H2O
2C17H35COONa+MgSO4→Mg[CH3(CH2)16COO)]2+Na2SO4?

Uses of Magnesium stearate:?It often used as a diluent in the manufacture of medical tablets, capsules and powders. It?is?not only?used to bind sugar in hard candies, but also?used as a heat stabilizer?of PVC,?lubricating agent of?ABS, amino resins, phenolic resins and urea formaldehyde resin. In addition, it is a common ingredient in baby formulas.?Besides, tis chemical can used?in the powder products to enhance adhesion and?lubrication.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin.?In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.?If you want to contact this product, you must wear suitable gloves and eye/face protection.

People can use the following data to convert to the molecule structure.?
1. SMILES:[Mg+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
2.?InChI:InChI=1/2C18H36O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

REACTION OF SODIUM STEARATE WITH MAGNESIUM SULFATE
U.S. Production

(1972) 2.16X10+9 GRAMS
(1975) 1.79X10+9 GRAMS
(1984) 1.08X10+10 g
【Usage】

In baby dusting powders.

Supplier Location

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