Basic Description

Synonyms	4-Ethylcaprylic acid \| s6039 \| A810607 \| FEMA 3800 \| 4-Ethyloctanoic acid \| PD124098 \| LMFA01030983 \| FEMA NO. 3800 \| Octanoic acid, 4-ethyl- \| AS-15968 \| SCHEMBL180777 \| SY060410 \| AKOS009157817 \| PWKJMPFEQOHBAC-UHFFFAOYSA-N \| CHEBI:179551 \| 4-ETHYLOCTAN
Specifications & Purity	≥98%
Shipped In	Normal

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

Pubchem Sid	488183534
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183534
IUPAC Name	4-ethyloctanoic acid
INCHI	InChI=1S/C10H20O2/c1-3-5-6-9(4-2)7-8-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)
InChIKey	PWKJMPFEQOHBAC-UHFFFAOYSA-N
Smiles	CCCCC(CC)CCC(=O)O
Isomeric SMILES	CCCCC(CC)CCC(=O)O
WGK Germany	3
Molecular Weight	172.26
Reaxy-Rn	1757963
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1757963&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.

9 results found

Lot Number	Certificate Type	Date	Item
G1917020	Certificate of Analysis	May 06, 2023	E102646
E1923017	Certificate of Analysis	Mar 09, 2023	E102646
J1822072	Certificate of Analysis	Aug 11, 2022	E102646
G2307608	Certificate of Analysis	Mar 19, 2022	E102646
G2307603	Certificate of Analysis	Mar 19, 2022	E102646
F2209326	Certificate of Analysis	Mar 19, 2022	E102646
F2209328	Certificate of Analysis	Mar 19, 2022	E102646
F2209324	Certificate of Analysis	Mar 19, 2022	E102646
G2307609	Certificate of Analysis	Mar 19, 2022	E102646

Chemical and Physical Properties

Solubility	Slightly soluble in water(0.13 mg/mL). Soluble in hexane
Refractive Index	1.439
Boil Point(°C)	163°C
Molecular Weight	172.260 g/mol
XLogP3	3.600
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	121.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Yuqi Ke, Wenbin Jin, Qiwei Yang, Xian Suo, Yiwen Yang, Qilong Ren, Huabin Xing. (2018) Nanostructured Branched-Chain Carboxylate Ionic Liquids: Synthesis, Characterization, and Extraordinary Solubility for Bioactive Molecules. ACS Sustainable Chemistry & Engineering, 6 (7): (8983–8991).

Solution Calculators

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SKU	Size	Availability	Price
E102646-1g	1g	3	$17.90
E102646-5g	5g	3	$65.90
E102646-25g	25g	3	$252.90
E102646-100g	100g	4	$718.90

4-Ethyloctanoic acid - 98%, high purity , CAS No.16493-80-4