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(2Z)-3，7-dimethyl-2，6-octadien-1-yl butyrate - ≥97%, high purity , CAS No.999-40-6

COA

Grade & Purity:

≥97%

Cas Number: 999-40-6
Molecular Weight: 224.34
PubChem CID: 5352162

In stock

Item Number

D709674

Grouped product items
SKU	Size	Availability	Price	Qty
D709674-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
D709674-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$489.90

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	Acyclic monoterpenoids Fatty acid esters Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Fatty alcohol ester - Monoterpenoid - Acyclic monoterpenoid - Fatty acid 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	Wax monoesters
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	[(2Z)-3,7-dimethylocta-2,6-dienyl] butanoate
INCHI	InChI=1S/C14H24O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h8,10H,5-7,9,11H2,1-4H3/b13-10-
InChIKey	ZSBOMYJPSRFZAL-RAXLEYEMSA-N
Smiles	CCCC(=O)OCC=C(C)CCC=C(C)C
Isomeric SMILES	CCCC(=O)OC/C=C(/C)\CCC=C(C)C
Molecular Weight	224.34
Reaxy-Rn	11143591
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11143591&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	224.340 g/mol
XLogP3	4.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	224.178 Da
Monoisotopic Mass	224.178 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	258.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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(2Z)-3，7-dimethyl-2，6-octadien-1-yl butyrate - ≥97%, high purity , CAS No.999-40-6

Basic Description