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Ethyl 3-Acetoxyhexanoate - >98.0%(GC), high purity , CAS No.21188-61-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 21188-61-4
Molecular Weight: 202.25
MDL number: MFCD00792508
PubChem CID: 89464

In stock

Item Number

E156521

Grouped product items
SKU	Size	Availability	Price	Qty
E156521-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$62.90
E156521-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	DTXSID30275860 \| UYBMIHNGXIOMAW-UHFFFAOYSA-N \| Hexanoic acid, 3-(acetyloxy)-, ethyl ester \| 3-Acetoxyhexanoic Acid Ethyl Ester \| SCHEMBL8862332 \| EINECS 244-263-1 \| E1014 \| Ethyl 3-acetoxyhexanoate \| MFCD00792508 \| ethyl 3-acetyloxyhexanoate \| Hexanoic ac
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acid esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acid esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty acid esters
Alternative Parents	Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
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	ethyl 3-acetyloxyhexanoate
INCHI	InChI=1S/C10H18O4/c1-4-6-9(14-8(3)11)7-10(12)13-5-2/h9H,4-7H2,1-3H3
InChIKey	UYBMIHNGXIOMAW-UHFFFAOYSA-N
Smiles	CCCC(CC(=O)OCC)OC(=O)C
Isomeric SMILES	CCCC(CC(=O)OCC)OC(=O)C
Molecular Weight	202.25
Reaxy-Rn	1774728
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774728&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.42
Flash Point(°C)	82 °C
Boil Point(°C)	116°C/14mmHg(lit.)
Molecular Weight	202.250 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	202.121 Da
Monoisotopic Mass	202.121 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	189.000
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

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