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Barium 2-ethylhexanoate, ~30% in xylene (7-10% Ba) - ~30% in xylene（7-10% Ba）, high purity , CAS No.2457-01-4

COA

Grade & Purity:

~30% in xylene(7-10% Ba)

Cas Number: 2457-01-4
Molecular Weight: 423.76
MDL number: MFCD00058696
PubChem CID: 102821

In stock

Item Number

B283465

Grouped product items
SKU	Size	Availability	Price	Qty
B283465-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$61.90
B283465-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90

Basic Description

Synonyms	BARIUM2-ETHYLHEXANOATE \| VJFFDDQGMMQGTQ-UHFFFAOYSA-L \| Hexanoic acid, 2-ethyl-, barium salt \| Barium 2-ethylhexanoate \| EC 219-535-8 \| QOU5ZV191I \| UNII-QOU5ZV191I \| 2-ETHYLHEXANOIC ACID BARIUM SALT \| Tox21_301625 \| DTXSID8044888 \| EINECS 219-535-8 \| DTXC
Specifications & Purity	~30% in xylene(7-10% Ba)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Medium-chain fatty acids
Alternative Parents	Branched fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	Medium-chain fatty acid - Branched fatty acid - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	barium(2+);2-ethylhexanoate
INCHI	InChI=1S/2C8H16O2.Ba/c21-3-5-6-7(4-2)8(9)10;/h27H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey	VJFFDDQGMMQGTQ-UHFFFAOYSA-L
Smiles	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
Isomeric SMILES	CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
Molecular Weight	423.76
Reaxy-Rn	3717430
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3717430&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Flash Point(°C)	85°F (xylenes)
Molecular Weight	423.700 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	424.12 Da
Monoisotopic Mass	424.12 Da
Topological Polar Surface Area	80.300 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	93.900
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

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