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Barium stearate structure
Barium stearate structure

Barium stearate

Iupac Name:barium(2+);octadecanoate
CAS No.: 6865-35-6
Molecular Weight:704.279
Modify Date.: 2022-11-05 22:19
Introduction: Waterproofing agent; lubricant in metalworking, plastics, and rubber; wax compounding; preparation of greases; heat and light stabilizer in plastics. View more+
1. Names and Identifiers
1.1 Name
Barium stearate
1.2 Synonyms

Barium bis(stearate) barium distearate barium(2+),octadecanoate Bis(octadecanoic acid)barium salt Einecs 229-966-3 MFCD00050711 octadecanoic acid barium salt Octadecanoic acid, barium salt (2:1) STEARIC ACID BARIUM SALT

1.3 CAS No.
6865-35-6
1.4 CID
197077
1.5 EINECS(EC#)
229-966-3
1.6 Molecular Formula
C36H70BaO4 (isomer)
1.7 Inchi
InChI=1S/2C18H36O2.Ba/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
1.8 InChkey
AGXUVMPSUKZYDT-UHFFFAOYSA-L
1.9 Canonical Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2]
1.10 Isomers Smiles
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ba+2]
2. Properties
2.1 Density
1.145
2.1 Melting point
>225 °C
2.1 Boiling point
359.4 °C at 760 mmHg
2.1 Flash Point
162.4 °C
2.1 Precise Quality
704.43300
2.1 PSA
52.60000
2.1 logP
12.51080
2.1 Solubility
insoluble H2O, alcohol [HAW93]
2.2 Appearance
white crystalline powder
2.3 Chemical Properties
White crystalline solid.Insoluble in water or alcohol. Combustible.
2.4 Color/Form
white
2.5 Odor
odorless
2.6 Physical
DryPowder
2.7 Water Solubility
insoluble in water
2.8 StorageTemp
Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
3. Use and Manufacturing
3.1 GHS Classification
Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 236 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 5 of 236 companies. For more detailed information, please visit ECHA C&L website

Of the 5 notification(s) provided by 231 of 236 companies with hazard statement code(s):

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H332 (97.4%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501
3.2 Usage
Waterproofing agent; lubricant in metalworking, plastics, and rubber; wax compounding; preparation of greases; heat and light stabilizer in plastics.
4. Safety and Handling
4.1 Risk Statements
R20/22
4.1 Safety Statements
28
4.1 Packing Group
II; III
4.1 Hazard Class
6.1
4.1 RIDADR
UN# 1564
4.1 Safety Profile
Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andfumes. Barium stearate Preparation Products And Raw materials Raw materials
4.2 RTECS
WI2840000
4.2 Report

Barium and its compounds are on the Community Right-To-Know List.

4.3 Safety

Risk Statements: 20/22?
R20/22:Harmful by inhalation and if swallowed.
Safety Statements: 28?
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: 1564
RTECS: WI2840000?
Moderately toxic by ingestion. When heated to decomposition it emits acrid smoke and fumes. See also BARIUM COMPOUNDS (soluble).

4.4 Specification

?Barium stearate (CAS NO.6865-35-6) is also named as Barium stearate ; Stavinor 40?; Barium distearate, pure ; Octadecanoic acid, barium salt ; Octadecanoic acid, barium salt (2:1) ; Stearic acid, barium salt .?Barium stearate (CAS NO.6865-35-6) is white crystalline powder. It is insoluble in water and ethanol.

4.5 Toxicity
1. ???

orl-rat LD50:4?g/kg

??? GISAAA ?? Gigiena i Sanitariya, 39 (11)(1974),91.
2. ???

orl-mus LD50:3500?mg/kg

??? GISAAA ?? Gigiena i Sanitariya, 39 (11)(1974),91.
3. ???

orl-gpg LD50:3600?mg/kg

??? GISAAA ?? Gigiena i Sanitariya, 39 (11)(1974),91.
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Acute toxicity - Inhalation, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H332 Harmful if inhaled

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Other Information
6.0 Chemical Properties
White crystalline solid.Insoluble in water or alcohol. Combustible.
6.1 Uses
Waterproofing agent; lubricant in metalworking, plastics, and rubber; wax compounding; preparation of greases; heat and light stabilizer in plastics.
6.2 Uses
Barium stearate is not generally used as a stabilizer, but is an important film-calendering lubricant. It is generally used in conjunction with other stabilizers such as Cadmium Stearate and Lead Stearate. It can be used as a flatting and sanding agents in lacquers, coatings and inks and as a drying lubricant for rubbers.
Barium stearate is used in dry - salt fire extinguishers to prevent caking.
6.3 Safety Profile
Moderately toxic by ingestion.When heated to decomposition it emits acrid smoke andfumes.
7. Computational chemical data
  • Molecular Weight: 704.279g/mol
  • Molecular Formula: C36H70BaO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 704.432658
  • Monoisotopic Mass: 704.432658
  • Complexity: 196
  • Rotatable Bond Count: 30
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 80.3
  • Heavy Atom Count: 41
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 3
  • CACTVS Substructure Key Fingerprint: AAADcfB8OAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAACACAgAACCAAAAAAIAACQCAAAAAAAAAAAAAEAAAAAABIAAAAAAAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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