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2-Ethylhexyl Cyanoacetate - >98.0%(GC), high purity , CAS No.13361-34-7

COA

Grade & Purity:

≥98%(GC)

Cas Number: 13361-34-7
Molecular Weight: 197.28
MDL number: MFCD00019843
PubChem CID: 96359
PubChem SID: 504756314

In stock

Item Number

E156433

Grouped product items
SKU	Size	Availability	Price
E156433-5ml	5ml	3	$9.90
E156433-25ml	25ml	Available within 1-2 weeks(?) Item is derived from our semi-finished stock and is processed in 1-2 weeks.	$13.90
E156433-100ml	100ml	2	$47.90
E156433-500ml	500ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$74.90

View related series

Nitrogenous compounds (2445) Non heterocyclic block (8163)

Basic Description

Synonyms	2-ETHYLHEXYLCYANOACETATE \| EC 236-425-5 \| 2-Ethylhexyl cyanoacetate \| Tox21_302144 \| 2-ethylhexyl 2-cyanoacetate \| InChI=1/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3 \| 6D8I2A0O4D \| EINECS 236-425-5 \| MFCD00019843 \| NSC69963 \| NSC-69963
Specifications & Purity	≥98%(GC)
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Carboxylic acid derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Carboxylic acid derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Carboxylic acid esters
Alternative Parents	Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
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	504756314
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504756314
IUPAC Name	2-ethylhexyl 2-cyanoacetate
INCHI	InChI=1S/C11H19NO2/c1-3-5-6-10(4-2)9-14-11(13)7-8-12/h10H,3-7,9H2,1-2H3
InChIKey	ZNYBQVBNSXLZNI-UHFFFAOYSA-N
Smiles	CCCCC(CC)COC(=O)CC#N
Isomeric SMILES	CCCCC(CC)COC(=O)CC#N
Molecular Weight	197.28
Reaxy-Rn	9123382
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9123382&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.

3 results found

Lot Number	Certificate Type	Date	Item
F2004021	Certificate of Analysis	Mar 07, 2023	E156433
G2311084	Certificate of Analysis	Mar 07, 2023	E156433
L2216488	Certificate of Analysis	Dec 27, 2022	E156433

Chemical and Physical Properties

Solubility	Insoluble in water
Refractive Index	1.44
Molecular Weight	197.270 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	8
Exact Mass	197.142 Da
Monoisotopic Mass	197.142 Da
Topological Polar Surface Area	50.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205.000
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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