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2-Nonyl Acetate - >98.0%(GC), high purity , CAS No.14936-66-4

COA

Grade & Purity:

≥98%(GC)

Cas Number: 14936-66-4
Molecular Weight: 186.3
Beilstein Registry Number: 2(3)262
MDL number: MFCD01321125
PubChem CID: 85788

In stock

Item Number

N158995

Grouped product items
SKU	Size	Availability	Price	Qty
N158995-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$66.90
N158995-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$254.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	SCHEMBL1301932 \| 2-Nonyl acetate \| Acetic Acid 1-Methyloctyl Ester \| EINECS 239-010-7 \| MFCD01321125 \| D88435 \| nonan-2-yl acetate \| 2-nonanol, acetate \| CS-0152289 \| ACETICACID2-NONYLESTER \| DTXSID40933626 \| GSUGVJOUDSLEBL-UHFFFAOYSA- \| InChI=1/C11H22O2/
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 alcohol esters

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohol esters
Intermediate Tree Nodes	Not available
Direct Parent	Fatty alcohol esters
Alternative Parents	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - 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 alcohol esters. These are ester derivatives of a fatty alcohol.
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	nonan-2-yl acetate
INCHI	InChI=1S/C11H22O2/c1-4-5-6-7-8-9-10(2)13-11(3)12/h10H,4-9H2,1-3H3
InChIKey	GSUGVJOUDSLEBL-UHFFFAOYSA-N
Smiles	CCCCCCCC(C)OC(=O)C
Isomeric SMILES	CCCCCCCC(C)OC(=O)C
Molecular Weight	186.3
Beilstein	2(3)262
Reaxy-Rn	1722876
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722876&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)	83 °C
Boil Point(°C)	215°C(lit.)
Molecular Weight	186.290 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	186.162 Da
Monoisotopic Mass	186.162 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	132.000
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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