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Dodecanoic acid, barium salt, basic

HCID 62548
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Basic information

CAS
4696-57-5
Standard SMILES
CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].[Ba+2]
InChIKey
RYTAZQLUNUCPFQ-UHFFFAOYSA-L
Molecular formula
C24H46BaO4
Average molar mass
535.9 g/mol
Monoisotopic mass
536.244857

Names & identifiers

Preferred name
Dodecanoic acid, barium salt, basic
IUPAC
barium(2+);bis(dodecanoate)

Names & synonyms

Dodecanoic acid, barium salt, basic93384-78-2RefChem:1083956DTXSID401065712297-292-7BARIUM LAURATE4696-57-5Barium dilauratebarium(2+);dodecanoateBARIUMLAURATEDodecanoic acid, barium saltEINECS 297-292-7
Show more names
Dodecanoic acid, barium salt (2:1)45U834A33YLauric acid, barium saltUNII-45U834A33Ybarium dodecanoateBarium didodecanoateEINECS 225-167-9SCHEMBL312850

Database identifiers

CAS
4696-57-5、93384-78-2
PubChem CID
62548
DTXSID
DTXSID1063564
UNII
45U834A33Y
EC Number
225-167-9、297-292-7
Nikkaji
J43.217B

Properties

Computed structural properties

Topological polar surface area
80.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
18
Heavy atoms
29
Formal charge
0
Complexity
127

Experimental & physicochemical properties

Physical DescriptionDry Powder

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 5 items

Chemical: Dodecanoic acid, barium salt

Chemical: Dodecanoic acid, barium salt, basic

Dodecanoic acid, barium salt (2:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Dodecanoic acid, barium salt (2:1) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Barium dilaurate (EC: 225-167-9)

Dodecanoic acid, barium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information · 2 items

IMAP assessments - Dodecanoic acid, barium salt, basic: Human health tier I assessment

IMAP assessments - Dodecanoic acid, barium salt: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Uses & manufacturing

U.S. Production2023: 4,000 lb
Industry UsesProcessing aids not otherwise specified
General Manufacturing Information · 2 items

Plastics Material and Resin Manufacturing

Dodecanoic acid, barium salt (2:1): ACTIVE

Related reactions

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Compound notes

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