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2-Butylhexanoic acid - 98%, high purity , CAS No.3115-28-4

COA

Grade & Purity:

≥98%

Cas Number: 3115-28-4
Molecular Weight: 172.26
EC Number: ‘869-208-4
PubChem CID: 18379

In stock

Item Number

B588675

Grouped product items
SKU	Size	Availability	Price
B588675-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$11.90
B588675-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$44.90
B588675-25g	25g	1	$136.90

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Fatty chain compounds (194)

Basic Description

Synonyms	AKOS006277103 \| BS-46864 \| NSC843 \| NSC-843 \| NSC 843 \| BRN 1758237 \| DTXSID20876163 \| SCHEMBL593706 \| EN300-7813913 \| Di-n-butylacetic acid \| HEXANOIC ACID, 2-BUTYL- \| MFCD01723365 \| 2-Butylhexanoic acid \| 2-butyl-hexanoic acid \| 4-02-00-01059 (Beilstein
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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 Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Medium-chain fatty acid - Branched fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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	2-butylhexanoic acid
INCHI	InChI=1S/C10H20O2/c1-3-5-7-9(10(11)12)8-6-4-2/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey	KQYRYPXQPKPVSP-UHFFFAOYSA-N
Smiles	CCCCC(CCCC)C(=O)O
Isomeric SMILES	CCCCC(CCCC)C(=O)O
NSC Number	NSC Number': ['843
Molecular Weight	172.26
Reaxy-Rn	1758237
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1758237&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
I2402241	Certificate of Analysis	Aug 10, 2024	B588675
I2402243	Certificate of Analysis	Aug 10, 2024	B588675
I2402244	Certificate of Analysis	Aug 10, 2024	B588675
I2402245	Certificate of Analysis	Aug 10, 2024	B588675
I2402246	Certificate of Analysis	Aug 10, 2024	B588675
I2402247	Certificate of Analysis	Aug 10, 2024	B588675

Chemical and Physical Properties

Molecular Weight	172.260 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	7
Exact Mass	172.146 Da
Monoisotopic Mass	172.146 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	113.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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