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Citronellyl isobutyrate - 92%(mixture of isomers), high purity , CAS No.97-89-2

COA

Grade & Purity:

≥92%
mixture of isomers

Cas Number: 97-89-2
Molecular Weight: 226.36
MDL number: MFCD00026443
PubChem CID: 60985
PubChem SID: 488183415

In stock

Item Number

C305052

Grouped product items
SKU	Size	Availability	Price
C305052-5g	5g	2	$16.90
C305052-25g	25g	2	$58.90
C305052-100g	100g	2	$191.90
C305052-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$859.90

Basic Description

Synonyms	Citronellyl isobutyrate \| 97-89-2 \| PROPANOIC ACID, 2-METHYL-, 3,7-DIMETHYL-6-OCTENYL ESTER \| 3,7-Dimethyloct-6-enyl isobutyrate \| 3,7-dimethyloct-6-enyl 2-methylpropanoate \| Citronellyl 2-methylpropanoate \| FEMA No. 2313 \| 3,7-dimethyloct-6-en-1-yl 2-methylpropanoate \|
Specifications & Purity	≥92%, mixture of isomers
Storage Temp	Room temperature,Desiccated
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	Acyclic monoterpenoids 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 - 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

Pubchem Sid	488183415
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488183415
IUPAC Name	3,7-dimethyloct-6-enyl 2-methylpropanoate
INCHI	InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3
InChIKey	ZGPPERKMXSGYRK-UHFFFAOYSA-N
Smiles	CC(C)C(=O)OCCC(C)CCC=C(C)C
Isomeric SMILES	CC(C)C(=O)OCCC(C)CCC=C(C)C
Molecular Weight	226.36
Reaxy-Rn	1774119
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1774119&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.

7 results found

Lot Number	Certificate Type	Date	Item
A2331644	Certificate of Analysis	Sep 17, 2022	C305052
A2331617	Certificate of Analysis	Sep 17, 2022	C305052
A2331614	Certificate of Analysis	Sep 17, 2022	C305052
A2331621	Certificate of Analysis	Sep 17, 2022	C305052
A2331622	Certificate of Analysis	Sep 17, 2022	C305052
A2331648	Certificate of Analysis	Sep 17, 2022	C305052
A2331651	Certificate of Analysis	Sep 17, 2022	C305052

Chemical and Physical Properties

Boil Point(°C)	253ºC
Molecular Weight	226.350 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	226.193 Da
Monoisotopic Mass	226.193 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	225.000
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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