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Isopentyl 2-Methylbutyrate - ≥98%, high purity , CAS No.27625-35-0

COA

Grade & Purity:

≥98%

Cas Number: 27625-35-0
Molecular Weight: 172.26
MDL number: MFCD00048645
PubChem CID: 520326
PubChem SID: 488190058

In stock

Item Number

I303306

Grouped product items
SKU	Size	Availability	Price
I303306-25g	25g	3	$83.90
I303306-100g	100g	4	$231.90
I303306-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$824.90

Basic Description

Synonyms	27625-35-0 \| 3-Methylbutyl 2-methylbutanoate \| Isoamyl 2-methylbutyrate \| Butanoic acid, 2-methyl-, 3-methylbutyl ester \| Isopentyl 2-methylbutyrate \| Isopentyl 2-methylbutanoate \| 3-Methylbutyl 2-methylbutyrate \| Isoamyl 2-methylbutanoate \| 3-Methylbutyl methylbutyrate \|
Specifications & Purity	≥98%
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 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	Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	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 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

Pubchem Sid	488190058
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190058
IUPAC Name	3-methylbutyl 2-methylbutanoate
INCHI	InChI=1S/C10H20O2/c1-5-9(4)10(11)12-7-6-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey	VGIRHYHLQKDEPP-UHFFFAOYSA-N
Smiles	CCC(C)C(=O)OCCC(C)C
Isomeric SMILES	CCC(C)C(=O)OCCC(C)C
Molecular Weight	172.26
Reaxy-Rn	1721983
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1721983&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.

5 results found

Lot Number	Certificate Type	Date	Item
I2203328	Certificate of Analysis	Jun 10, 2025	I303306
I2205053	Certificate of Analysis	Jun 10, 2025	I303306
I2205054	Certificate of Analysis	Jun 10, 2025	I303306
I2222372	Certificate of Analysis	Jun 23, 2022	I303306
I2221374	Certificate of Analysis	Jun 23, 2022	I303306

Chemical and Physical Properties

Refractive Index	n20/D 1.413 (lit.)
Flash Point(°C)	143 °F
Boil Point(°C)	41ºC1.5 mm Hg
Molecular Weight	172.260 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	172.146 Da
Monoisotopic Mass	172.146 Da
Topological Polar Surface Area	26.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130.000
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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